(4R)-6-amino-N-[(1S)-2-(dimethylamino)-2-oxo-1-phenylethyl]-4,5-dihydroxynonanamide

C19H31N3O4 — CID 58263305

IUPAC(4R)-6-amino-N-[(1S)-2-(dimethylamino)-2-oxo-1-phenylethyl]-4,5-dihydroxynonanamide
SMILESCCCC(N)C(O)[C@H](O)CCC(=O)N[C@H](C(=O)N(C)C)c1ccccc1
InChIInChI=1S/C19H31N3O4/c1-4-8-14(20)18(25)15(23)11-12-16(24)21-17(19(26)22(2)3)13-9-6-5-7-10-13/h5-7,9-10,14-15,17-18,23,25H,4,8,11-12,20H2,1-3H3,(H,21,24)/t14?,15-,17+,18?/m1/s1
InChIKeyKTPUFWUXLMXCAQ-AUCMRZJMSA-N
MW365.47 g/mol
LogP0.56
Rot. Bonds10

About (4R)-6-amino-N-[(1S)-2-(dimethylamino)-2-oxo-1-phenylethyl]-4,5-dihydroxynonanamide

(4R)-6-amino-N-[(1S)-2-(dimethylamino)-2-oxo-1-phenylethyl]-4,5-dihydroxynonanamide (PubChem CID 58263305) has the molecular formula C19H31N3O4 and a molecular weight of 365.47 g/mol. Its IUPAC name is (4R)-6-amino-N-[(1S)-2-(dimethylamino)-2-oxo-1-phenylethyl]-4,5-dihydroxynonanamide.

Molecular Properties

Compound Name(4R)-6-amino-N-[(1S)-2-(dimethylamino)-2-oxo-1-phenylethyl]-4,5-dihydroxynonanamide
PubChem CID58263305
Molecular FormulaC19H31N3O4
Molecular Weight365.47 g/mol
Exact Mass365.23
IUPAC Name(4R)-6-amino-N-[(1S)-2-(dimethylamino)-2-oxo-1-phenylethyl]-4,5-dihydroxynonanamide
SMILESCCCC(N)C(O)[C@H](O)CCC(=O)N[C@H](C(=O)N(C)C)c1ccccc1
InChIInChI=1S/C19H31N3O4/c1-4-8-14(20)18(25)15(23)11-12-16(24)21-17(19(26)22(2)3)13-9-6-5-7-10-13/h5-7,9-10,14-15,17-18,23,25H,4,8,11-12,20H2,1-3H3,(H,21,24)/t14?,15-,17+,18?/m1/s1
InChIKeyKTPUFWUXLMXCAQ-AUCMRZJMSA-N
XLogP0.56
TPSA115.89 Ų
H-Bond Donors4
H-Bond Acceptors5
Rotatable Bonds10
Heavy Atoms26
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500365.47
LogP ≤ 50.56
H-Bond Donors ≤ 54
H-Bond Acceptors ≤ 105

Analyze (4R)-6-amino-N-[(1S)-2-(dimethylamino)-2-oxo-1-phenylethyl]-4,5-dihydroxynonanamide with MolForge

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Related Compounds

chloro(diazenyl)diazene;(4R)-N-[(1S)-2-(dimethylamino)-2-oxo-1-phenylethyl]-4,5-dihydroxy-6-methylnonanamide
CID 123853536
3-amino-N-[2-[[(1S)-2-(dimethylamino)-2-oxo-1-phenylethyl]amino]-2-oxoethyl]-2-hydroxyheptanamide
CID 59907004
N-[(1S)-2-(diethylamino)-2-oxo-1-phenylethyl]butanamide
CID 110287066
(2S)-2-[[2-(hydroxyamino)acetyl]amino]-N,N-dimethyl-2-phenylacetamide
CID 143355989
2-[(2-formamidoacetyl)amino]-N,N-dimethyl-2-phenylacetamide
CID 143314684
N,N-dimethyl-2-phenyl-2-(propylamino)acetamide
CID 142268246
3-amino-4-cyclopropyl-N-[2-[[(1S)-2-(dimethylamino)-2-oxo-1-phenylethyl]amino]-2-oxoethyl]-2-hydroxybutanamide;hydrochloride
CID 11661558
3-amino-2-hydroxy-N-[2-[[(1S)-2-(methylamino)-2-oxo-1-phenylethyl]amino]-2-oxoethyl]hexanamide
CID 59979466
N-[2-[[2-(dimethylamino)-2-oxo-1-phenylethyl]amino]-2-oxoethyl]-6,6-difluoro-3-(methylamino)-2-oxohexanamide
CID 143315083
(2S)-2-[[(2S)-2-aminopentanoyl]amino]-2-phenylacetic acid
CID 103871030
2-amino-N-methyl-N-(1-phenylethyl)pentanamide;hydrochloride
CID 119271101
(2S)-2-[[(2R)-2-aminopentanoyl]amino]-2-phenylacetic acid
CID 113342407

Frequently Asked Questions

What is the IUPAC name of (4R)-6-amino-N-[(1S)-2-(dimethylamino)-2-oxo-1-phenylethyl]-4,5-dihydroxynonanamide?
The IUPAC name of (4R)-6-amino-N-[(1S)-2-(dimethylamino)-2-oxo-1-phenylethyl]-4,5-dihydroxynonanamide (CID 58263305) is (4R)-6-amino-N-[(1S)-2-(dimethylamino)-2-oxo-1-phenylethyl]-4,5-dihydroxynonanamide.
What is the SMILES notation for (4R)-6-amino-N-[(1S)-2-(dimethylamino)-2-oxo-1-phenylethyl]-4,5-dihydroxynonanamide?
The canonical SMILES for (4R)-6-amino-N-[(1S)-2-(dimethylamino)-2-oxo-1-phenylethyl]-4,5-dihydroxynonanamide is CCCC(N)C(O)[C@H](O)CCC(=O)N[C@H](C(=O)N(C)C)c1ccccc1.
What is the InChIKey of (4R)-6-amino-N-[(1S)-2-(dimethylamino)-2-oxo-1-phenylethyl]-4,5-dihydroxynonanamide?
The InChIKey is KTPUFWUXLMXCAQ-AUCMRZJMSA-N. The full InChI is InChI=1S/C19H31N3O4/c1-4-8-14(20)18(25)15(23)11-12-16(24)21-17(19(26)22(2)3)13-9-6-5-7-10-13/h5-7,9-10,14-15,17-18,23,25H,4,8,11-12,20H2,1-3H3,(H,21,24)/t14?,15-,17+,18?/m1/s1.
What are the key properties of (4R)-6-amino-N-[(1S)-2-(dimethylamino)-2-oxo-1-phenylethyl]-4,5-dihydroxynonanamide?
(4R)-6-amino-N-[(1S)-2-(dimethylamino)-2-oxo-1-phenylethyl]-4,5-dihydroxynonanamide has a molecular weight of 365.47 g/mol, XLogP of 0.56, 10 rotatable bonds, 4 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for (4R)-6-amino-N-[(1S)-2-(dimethylamino)-2-oxo-1-phenylethyl]-4,5-dihydroxynonanamide is sourced from PubChem (CID 58263305), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).