N-[5-[(1R)-2-[[(2R,4Z,6E)-4-ethenyl-7-methoxyhepta-4,6-dien-2-yl]amino]-1-hydroxyethyl]-2-hydroxyphenyl]formamide

C19H26N2O4 — CID 89021824

IUPACN-[5-[(1R)-2-[[(2R,4Z,6E)-4-ethenyl-7-methoxyhepta-4,6-dien-2-yl]amino]-1-hydroxyethyl]-2-hydroxyphenyl]formamide
SMILESC=C/C(=C\C=C\OC)C[C@@H](C)NC[C@H](O)c1ccc(O)c(NC=O)c1
InChIInChI=1S/C19H26N2O4/c1-4-15(6-5-9-25-3)10-14(2)20-12-19(24)16-7-8-18(23)17(11-16)21-13-22/h4-9,11,13-14,19-20,23-24H,1,10,12H2,2-3H3,(H,21,22)/b9-5+,15-6+/t14-,19+/m1/s1
InChIKeyGAMRNDVKRTYFLF-SWFNZGFPSA-N
MW346.43 g/mol
LogP2.63
Rot. Bonds11

About N-[5-[(1R)-2-[[(2R,4Z,6E)-4-ethenyl-7-methoxyhepta-4,6-dien-2-yl]amino]-1-hydroxyethyl]-2-hydroxyphenyl]formamide

N-[5-[(1R)-2-[[(2R,4Z,6E)-4-ethenyl-7-methoxyhepta-4,6-dien-2-yl]amino]-1-hydroxyethyl]-2-hydroxyphenyl]formamide (PubChem CID 89021824) has the molecular formula C19H26N2O4 and a molecular weight of 346.43 g/mol. Its IUPAC name is N-[5-[(1R)-2-[[(2R,4Z,6E)-4-ethenyl-7-methoxyhepta-4,6-dien-2-yl]amino]-1-hydroxyethyl]-2-hydroxyphenyl]formamide.

Molecular Properties

Compound NameN-[5-[(1R)-2-[[(2R,4Z,6E)-4-ethenyl-7-methoxyhepta-4,6-dien-2-yl]amino]-1-hydroxyethyl]-2-hydroxyphenyl]formamide
PubChem CID89021824
Molecular FormulaC19H26N2O4
Molecular Weight346.43 g/mol
Exact Mass346.19
IUPAC NameN-[5-[(1R)-2-[[(2R,4Z,6E)-4-ethenyl-7-methoxyhepta-4,6-dien-2-yl]amino]-1-hydroxyethyl]-2-hydroxyphenyl]formamide
SMILESC=C/C(=C\C=C\OC)C[C@@H](C)NC[C@H](O)c1ccc(O)c(NC=O)c1
InChIInChI=1S/C19H26N2O4/c1-4-15(6-5-9-25-3)10-14(2)20-12-19(24)16-7-8-18(23)17(11-16)21-13-22/h4-9,11,13-14,19-20,23-24H,1,10,12H2,2-3H3,(H,21,22)/b9-5+,15-6+/t14-,19+/m1/s1
InChIKeyGAMRNDVKRTYFLF-SWFNZGFPSA-N
XLogP2.63
TPSA90.82 Ų
H-Bond Donors4
H-Bond Acceptors5
Rotatable Bonds11
Heavy Atoms25
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500346.43
LogP ≤ 52.63
H-Bond Donors ≤ 54
H-Bond Acceptors ≤ 105

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'acyclic_C=C-O', 'substructure': 'N/A'}, {'alert_name': 'aldehyde', 'substructure': 'N/A'}, {'alert_name': 'catechol', 'substructure': 'N/A'}, {'alert_name': 'polyene', 'substructure': 'N/A'}

Analyze N-[5-[(1R)-2-[[(2R,4Z,6E)-4-ethenyl-7-methoxyhepta-4,6-dien-2-yl]amino]-1-hydroxyethyl]-2-hydroxyphenyl]formamide with MolForge

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Related Compounds

N-[2-hydroxy-5-[(1R)-1-hydroxy-2-[[(2R)-1-phenylpropan-2-yl]amino]ethyl]phenyl]formamide
CID 141123445
(2R,3R)-2,3-dihydroxybutanedioic acid;N-[2-hydroxy-5-[(1R)-1-hydroxy-2-[[(2S)-1-(4-methoxyphenyl)propan-2-yl]amino]ethyl]phenyl]formamide
CID 123134656
N-[2-hydroxy-5-[(1R)-1-hydroxy-2-[[(2R)-1-[4-(trideuterio(113C)methoxy)phenyl]propan-2-yl]amino]ethyl]phenyl]formamide
CID 76973568
(E)-but-2-enedioic acid;bis(N-[2-hydroxy-5-[(1R)-1-hydroxy-2-[[(2S)-1-(4-methoxyphenyl)propan-2-yl]amino]ethyl]phenyl]formamide)
CID 66509068
2-amino-4-[1-hydroxy-2-[[(2R)-1-(4-methoxyphenyl)propan-2-yl]amino]ethyl]phenol;N-[2-hydroxy-5-[1-hydroxy-2-[[(2R)-1-(4-methoxyphenyl)propan-2-yl]amino]ethyl]phenyl]formamide
CID 159413933
N-[5-[2-[6-[[2-(3-formamido-4-hydroxyphenyl)-2-hydroxyethyl]amino]hexylamino]-1-hydroxyethyl]-2-hydroxyphenyl]formamide
CID 21435549
N-[5-[2-[6-[[2-(3-formamido-4-hydroxyphenyl)-2-hydroxyethyl]amino]hexylamino]-1-hydroxyethyl]-2-hydroxyphenyl]formamide;dihydrochloride
CID 21438047
N-[5-[2-[[1,1,1,2,3,3-hexadeuterio-3-(4-methoxyphenyl)propan-2-yl]amino]-1-hydroxyethyl]-2-hydroxyphenyl]formamide
CID 45039298
(2R)-2-[(1S)-1,2-dihydroxyethyl]-3,4-dihydroxy-2H-furan-5-one;N-[2-hydroxy-5-[1-hydroxy-2-[1-(4-methoxyphenyl)propan-2-ylamino]ethyl]phenyl]formamide
CID 86293364
N-[5-[2-[1-[4-(2,2-difluoro-2-phenylethoxy)phenyl]propan-2-ylamino]-1-hydroxyethyl]-2-hydroxyphenyl]formamide;formic acid
CID 24880071
2-[3-[(2R)-2-[[(2S)-2-(3-formamido-4-hydroxyphenyl)-2-hydroxyethyl]amino]propyl]phenyl]-N-[(2-hydroxynaphthalen-1-yl)methyl]acetamide
CID 87548027
4-[1-hydroxy-2-(5-methoxypentan-2-ylamino)ethyl]benzene-1,2-diol
CID 19069885

Frequently Asked Questions

What is the IUPAC name of N-[5-[(1R)-2-[[(2R,4Z,6E)-4-ethenyl-7-methoxyhepta-4,6-dien-2-yl]amino]-1-hydroxyethyl]-2-hydroxyphenyl]formamide?
The IUPAC name of N-[5-[(1R)-2-[[(2R,4Z,6E)-4-ethenyl-7-methoxyhepta-4,6-dien-2-yl]amino]-1-hydroxyethyl]-2-hydroxyphenyl]formamide (CID 89021824) is N-[5-[(1R)-2-[[(2R,4Z,6E)-4-ethenyl-7-methoxyhepta-4,6-dien-2-yl]amino]-1-hydroxyethyl]-2-hydroxyphenyl]formamide.
What is the SMILES notation for N-[5-[(1R)-2-[[(2R,4Z,6E)-4-ethenyl-7-methoxyhepta-4,6-dien-2-yl]amino]-1-hydroxyethyl]-2-hydroxyphenyl]formamide?
The canonical SMILES for N-[5-[(1R)-2-[[(2R,4Z,6E)-4-ethenyl-7-methoxyhepta-4,6-dien-2-yl]amino]-1-hydroxyethyl]-2-hydroxyphenyl]formamide is C=C/C(=C\C=C\OC)C[C@@H](C)NC[C@H](O)c1ccc(O)c(NC=O)c1.
What is the InChIKey of N-[5-[(1R)-2-[[(2R,4Z,6E)-4-ethenyl-7-methoxyhepta-4,6-dien-2-yl]amino]-1-hydroxyethyl]-2-hydroxyphenyl]formamide?
The InChIKey is GAMRNDVKRTYFLF-SWFNZGFPSA-N. The full InChI is InChI=1S/C19H26N2O4/c1-4-15(6-5-9-25-3)10-14(2)20-12-19(24)16-7-8-18(23)17(11-16)21-13-22/h4-9,11,13-14,19-20,23-24H,1,10,12H2,2-3H3,(H,21,22)/b9-5+,15-6+/t14-,19+/m1/s1.
What are the key properties of N-[5-[(1R)-2-[[(2R,4Z,6E)-4-ethenyl-7-methoxyhepta-4,6-dien-2-yl]amino]-1-hydroxyethyl]-2-hydroxyphenyl]formamide?
N-[5-[(1R)-2-[[(2R,4Z,6E)-4-ethenyl-7-methoxyhepta-4,6-dien-2-yl]amino]-1-hydroxyethyl]-2-hydroxyphenyl]formamide has a molecular weight of 346.43 g/mol, XLogP of 2.63, 11 rotatable bonds, 4 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for N-[5-[(1R)-2-[[(2R,4Z,6E)-4-ethenyl-7-methoxyhepta-4,6-dien-2-yl]amino]-1-hydroxyethyl]-2-hydroxyphenyl]formamide is sourced from PubChem (CID 89021824), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).