(4S)-4-amino-N-[2-(diethylamino)-2-oxoethyl]-2,2-difluoro-3-hydroxy-5-phenylpentanamide

C17H25F2N3O3 — CID 139926243

IUPAC(4S)-4-amino-N-[2-(diethylamino)-2-oxoethyl]-2,2-difluoro-3-hydroxy-5-phenylpentanamide
SMILESCCN(CC)C(=O)CNC(=O)C(F)(F)C(O)[C@@H](N)Cc1ccccc1
InChIInChI=1S/C17H25F2N3O3/c1-3-22(4-2)14(23)11-21-16(25)17(18,19)15(24)13(20)10-12-8-6-5-7-9-12/h5-9,13,15,24H,3-4,10-11,20H2,1-2H3,(H,21,25)/t13-,15?/m0/s1
InChIKeyIDUOCNRDPPIUQQ-CFMCSPIPSA-N
MW357.40 g/mol
LogP0.54
Rot. Bonds9

About (4S)-4-amino-N-[2-(diethylamino)-2-oxoethyl]-2,2-difluoro-3-hydroxy-5-phenylpentanamide

(4S)-4-amino-N-[2-(diethylamino)-2-oxoethyl]-2,2-difluoro-3-hydroxy-5-phenylpentanamide (PubChem CID 139926243) has the molecular formula C17H25F2N3O3 and a molecular weight of 357.40 g/mol. Its IUPAC name is (4S)-4-amino-N-[2-(diethylamino)-2-oxoethyl]-2,2-difluoro-3-hydroxy-5-phenylpentanamide.

Molecular Properties

Compound Name(4S)-4-amino-N-[2-(diethylamino)-2-oxoethyl]-2,2-difluoro-3-hydroxy-5-phenylpentanamide
PubChem CID139926243
Molecular FormulaC17H25F2N3O3
Molecular Weight357.40 g/mol
Exact Mass357.19
IUPAC Name(4S)-4-amino-N-[2-(diethylamino)-2-oxoethyl]-2,2-difluoro-3-hydroxy-5-phenylpentanamide
SMILESCCN(CC)C(=O)CNC(=O)C(F)(F)C(O)[C@@H](N)Cc1ccccc1
InChIInChI=1S/C17H25F2N3O3/c1-3-22(4-2)14(23)11-21-16(25)17(18,19)15(24)13(20)10-12-8-6-5-7-9-12/h5-9,13,15,24H,3-4,10-11,20H2,1-2H3,(H,21,25)/t13-,15?/m0/s1
InChIKeyIDUOCNRDPPIUQQ-CFMCSPIPSA-N
XLogP0.54
TPSA95.66 Ų
H-Bond Donors3
H-Bond Acceptors4
Rotatable Bonds9
Heavy Atoms25
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500357.40
LogP ≤ 50.54
H-Bond Donors ≤ 53
H-Bond Acceptors ≤ 104

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Related Compounds

(4S)-4-amino-N-[2-(diethylamino)-2-oxoethyl]-2,2-difluoro-3-oxo-5-phenylpentanamide
CID 139926238
4-amino-2,2-difluoro-3-hydroxy-N-pentyl-5-phenylpentanamide
CID 10805210
tert-butyl N-[(2S)-5-[[2-(diethylamino)-2-oxoethyl]amino]-4,4-difluoro-3-hydroxy-5-oxo-1-phenylpentan-2-yl]carbamate
CID 139926193
3-[(4-amino-2,2-difluoro-3-hydroxy-5-phenylpentanoyl)amino]benzoic acid
CID 10761262
methyl 2-[[2-[(4-amino-2,2-difluoro-3-hydroxy-5-phenylpentanoyl)amino]-3-methylbutanoyl]amino]-3-methylbutanoate
CID 70354317
(2R,3R)-3-amino-1,1,1-trifluoro-4-phenylbutan-2-ol
CID 28820182
4-amino-2,2-difluoro-3-hydroxy-5-(4-phenylmethoxyphenyl)-N-(pyridin-3-ylmethyl)pentanamide
CID 54415841
4-amino-N-benzyl-2,2-difluoro-3-hydroxy-5-[4-(pyridin-2-ylmethoxy)phenyl]pentanamide
CID 54136965
(2S,3S,4S,5S)-2,5-diamino-1,6-diphenylhexane-3,4-diol;bis(2,2,2-trifluoroacetic acid)
CID 24799463
(2S,3R)-2-amino-4,4-dimethyl-1-phenylpentan-3-ol
CID 101132105
2-(benzylamino)-N,N-diethylacetamide
CID 10857021
(3S)-3-amino-2-hydroxy-4-phenyl-N-(2,2,2-trifluoroethyl)butanamide
CID 69029068

Frequently Asked Questions

What is the IUPAC name of (4S)-4-amino-N-[2-(diethylamino)-2-oxoethyl]-2,2-difluoro-3-hydroxy-5-phenylpentanamide?
The IUPAC name of (4S)-4-amino-N-[2-(diethylamino)-2-oxoethyl]-2,2-difluoro-3-hydroxy-5-phenylpentanamide (CID 139926243) is (4S)-4-amino-N-[2-(diethylamino)-2-oxoethyl]-2,2-difluoro-3-hydroxy-5-phenylpentanamide.
What is the SMILES notation for (4S)-4-amino-N-[2-(diethylamino)-2-oxoethyl]-2,2-difluoro-3-hydroxy-5-phenylpentanamide?
The canonical SMILES for (4S)-4-amino-N-[2-(diethylamino)-2-oxoethyl]-2,2-difluoro-3-hydroxy-5-phenylpentanamide is CCN(CC)C(=O)CNC(=O)C(F)(F)C(O)[C@@H](N)Cc1ccccc1.
What is the InChIKey of (4S)-4-amino-N-[2-(diethylamino)-2-oxoethyl]-2,2-difluoro-3-hydroxy-5-phenylpentanamide?
The InChIKey is IDUOCNRDPPIUQQ-CFMCSPIPSA-N. The full InChI is InChI=1S/C17H25F2N3O3/c1-3-22(4-2)14(23)11-21-16(25)17(18,19)15(24)13(20)10-12-8-6-5-7-9-12/h5-9,13,15,24H,3-4,10-11,20H2,1-2H3,(H,21,25)/t13-,15?/m0/s1.
What are the key properties of (4S)-4-amino-N-[2-(diethylamino)-2-oxoethyl]-2,2-difluoro-3-hydroxy-5-phenylpentanamide?
(4S)-4-amino-N-[2-(diethylamino)-2-oxoethyl]-2,2-difluoro-3-hydroxy-5-phenylpentanamide has a molecular weight of 357.40 g/mol, XLogP of 0.54, 9 rotatable bonds, 3 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for (4S)-4-amino-N-[2-(diethylamino)-2-oxoethyl]-2,2-difluoro-3-hydroxy-5-phenylpentanamide is sourced from PubChem (CID 139926243), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).