N-[2-hydroxy-5-[(1R)-1-hydroxy-1-[[(2R)-1-(4-methoxyphenyl)propan-2-yl]amino]ethyl]phenyl]formamide

C19H24N2O4 — CID 89251105

IUPACN-[2-hydroxy-5-[(1R)-1-hydroxy-1-[[(2R)-1-(4-methoxyphenyl)propan-2-yl]amino]ethyl]phenyl]formamide
SMILESCOc1ccc(C[C@@H](C)N[C@](C)(O)c2ccc(O)c(NC=O)c2)cc1
InChIInChI=1S/C19H24N2O4/c1-13(10-14-4-7-16(25-3)8-5-14)21-19(2,24)15-6-9-18(23)17(11-15)20-12-22/h4-9,11-13,21,23-24H,10H2,1-3H3,(H,20,22)/t13-,19-/m1/s1
InChIKeyWWYVZNVWWUOPKZ-BFUOFWGJSA-N
MW344.41 g/mol
LogP2.35
Rot. Bonds8

About N-[2-hydroxy-5-[(1R)-1-hydroxy-1-[[(2R)-1-(4-methoxyphenyl)propan-2-yl]amino]ethyl]phenyl]formamide

N-[2-hydroxy-5-[(1R)-1-hydroxy-1-[[(2R)-1-(4-methoxyphenyl)propan-2-yl]amino]ethyl]phenyl]formamide (PubChem CID 89251105) has the molecular formula C19H24N2O4 and a molecular weight of 344.41 g/mol. Its IUPAC name is N-[2-hydroxy-5-[(1R)-1-hydroxy-1-[[(2R)-1-(4-methoxyphenyl)propan-2-yl]amino]ethyl]phenyl]formamide.

Molecular Properties

Compound NameN-[2-hydroxy-5-[(1R)-1-hydroxy-1-[[(2R)-1-(4-methoxyphenyl)propan-2-yl]amino]ethyl]phenyl]formamide
PubChem CID89251105
Molecular FormulaC19H24N2O4
Molecular Weight344.41 g/mol
Exact Mass344.17
IUPAC NameN-[2-hydroxy-5-[(1R)-1-hydroxy-1-[[(2R)-1-(4-methoxyphenyl)propan-2-yl]amino]ethyl]phenyl]formamide
SMILESCOc1ccc(C[C@@H](C)N[C@](C)(O)c2ccc(O)c(NC=O)c2)cc1
InChIInChI=1S/C19H24N2O4/c1-13(10-14-4-7-16(25-3)8-5-14)21-19(2,24)15-6-9-18(23)17(11-15)20-12-22/h4-9,11-13,21,23-24H,10H2,1-3H3,(H,20,22)/t13-,19-/m1/s1
InChIKeyWWYVZNVWWUOPKZ-BFUOFWGJSA-N
XLogP2.35
TPSA90.82 Ų
H-Bond Donors4
H-Bond Acceptors5
Rotatable Bonds8
Heavy Atoms25
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500344.41
LogP ≤ 52.35
H-Bond Donors ≤ 54
H-Bond Acceptors ≤ 105

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'aldehyde', 'substructure': 'N/A'}, {'alert_name': 'catechol', 'substructure': 'N/A'}, {'alert_name': 'het-C-het_not_in_ring', 'substructure': 'N/A'}

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Related Compounds

(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
(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
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-[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-[1-hydroxy-2-[1-(4-methoxyphenyl)propan-2-yl-methylamino]ethyl]phenyl]formamide)
CID 169443535
(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
(E)-but-2-enedioic acid;N-[2-hydroxy-5-[1,2,2-trideuterio-1-hydroxy-2-[1-[4-(trideuteriomethoxy)phenyl]propan-2-ylamino]ethyl]phenyl]formamide
CID 172653229
N-[1-(4-methoxyphenyl)propan-2-yl]-2,4,4-trimethylpentan-2-amine
CID 43731289
N-[5-[2-[1-[4-(2,2-difluoro-2-phenylethoxy)phenyl]propan-2-ylamino]-1-hydroxyethyl]-2-hydroxyphenyl]formamide;formic acid
CID 24880071
N-[5-[2-[[1,1,1,2,3,3-hexadeuterio-3-(4-methoxyphenyl)propan-2-yl]amino]-1-hydroxyethyl]-2-hydroxyphenyl]formamide
CID 45039298
4-[1-amino-1-hydroxy-2-[1-(4-methoxyphenyl)propan-2-ylamino]ethyl]phenol
CID 174803609
4-tert-butyl-2-(4-methoxyanilino)phenol
CID 50924521

Frequently Asked Questions

What is the IUPAC name of N-[2-hydroxy-5-[(1R)-1-hydroxy-1-[[(2R)-1-(4-methoxyphenyl)propan-2-yl]amino]ethyl]phenyl]formamide?
The IUPAC name of N-[2-hydroxy-5-[(1R)-1-hydroxy-1-[[(2R)-1-(4-methoxyphenyl)propan-2-yl]amino]ethyl]phenyl]formamide (CID 89251105) is N-[2-hydroxy-5-[(1R)-1-hydroxy-1-[[(2R)-1-(4-methoxyphenyl)propan-2-yl]amino]ethyl]phenyl]formamide.
What is the SMILES notation for N-[2-hydroxy-5-[(1R)-1-hydroxy-1-[[(2R)-1-(4-methoxyphenyl)propan-2-yl]amino]ethyl]phenyl]formamide?
The canonical SMILES for N-[2-hydroxy-5-[(1R)-1-hydroxy-1-[[(2R)-1-(4-methoxyphenyl)propan-2-yl]amino]ethyl]phenyl]formamide is COc1ccc(C[C@@H](C)N[C@](C)(O)c2ccc(O)c(NC=O)c2)cc1.
What is the InChIKey of N-[2-hydroxy-5-[(1R)-1-hydroxy-1-[[(2R)-1-(4-methoxyphenyl)propan-2-yl]amino]ethyl]phenyl]formamide?
The InChIKey is WWYVZNVWWUOPKZ-BFUOFWGJSA-N. The full InChI is InChI=1S/C19H24N2O4/c1-13(10-14-4-7-16(25-3)8-5-14)21-19(2,24)15-6-9-18(23)17(11-15)20-12-22/h4-9,11-13,21,23-24H,10H2,1-3H3,(H,20,22)/t13-,19-/m1/s1.
What are the key properties of N-[2-hydroxy-5-[(1R)-1-hydroxy-1-[[(2R)-1-(4-methoxyphenyl)propan-2-yl]amino]ethyl]phenyl]formamide?
N-[2-hydroxy-5-[(1R)-1-hydroxy-1-[[(2R)-1-(4-methoxyphenyl)propan-2-yl]amino]ethyl]phenyl]formamide has a molecular weight of 344.41 g/mol, XLogP of 2.35, 8 rotatable bonds, 4 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for N-[2-hydroxy-5-[(1R)-1-hydroxy-1-[[(2R)-1-(4-methoxyphenyl)propan-2-yl]amino]ethyl]phenyl]formamide is sourced from PubChem (CID 89251105), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).