(2S)-2-[[(2R,3S)-3-amino-2-hydroxy-4-phenylbutyl]amino]-N-cyclohexylpropanamide

C19H31N3O2 — CID 69359753

IUPAC(2S)-2-[[(2R,3S)-3-amino-2-hydroxy-4-phenylbutyl]amino]-N-cyclohexylpropanamide
SMILESC[C@H](NC[C@@H](O)[C@@H](N)Cc1ccccc1)C(=O)NC1CCCCC1
InChIInChI=1S/C19H31N3O2/c1-14(19(24)22-16-10-6-3-7-11-16)21-13-18(23)17(20)12-15-8-4-2-5-9-15/h2,4-5,8-9,14,16-18,21,23H,3,6-7,10-13,20H2,1H3,(H,22,24)/t14-,17-,18+/m0/s1
InChIKeyYLUGZDLKFDBWGR-JCGIZDLHSA-N
MW333.48 g/mol
LogP1.34
Rot. Bonds8

About (2S)-2-[[(2R,3S)-3-amino-2-hydroxy-4-phenylbutyl]amino]-N-cyclohexylpropanamide

(2S)-2-[[(2R,3S)-3-amino-2-hydroxy-4-phenylbutyl]amino]-N-cyclohexylpropanamide (PubChem CID 69359753) has the molecular formula C19H31N3O2 and a molecular weight of 333.48 g/mol. Its IUPAC name is (2S)-2-[[(2R,3S)-3-amino-2-hydroxy-4-phenylbutyl]amino]-N-cyclohexylpropanamide.

Molecular Properties

Compound Name(2S)-2-[[(2R,3S)-3-amino-2-hydroxy-4-phenylbutyl]amino]-N-cyclohexylpropanamide
PubChem CID69359753
Molecular FormulaC19H31N3O2
Molecular Weight333.48 g/mol
Exact Mass333.24
IUPAC Name(2S)-2-[[(2R,3S)-3-amino-2-hydroxy-4-phenylbutyl]amino]-N-cyclohexylpropanamide
SMILESC[C@H](NC[C@@H](O)[C@@H](N)Cc1ccccc1)C(=O)NC1CCCCC1
InChIInChI=1S/C19H31N3O2/c1-14(19(24)22-16-10-6-3-7-11-16)21-13-18(23)17(20)12-15-8-4-2-5-9-15/h2,4-5,8-9,14,16-18,21,23H,3,6-7,10-13,20H2,1H3,(H,22,24)/t14-,17-,18+/m0/s1
InChIKeyYLUGZDLKFDBWGR-JCGIZDLHSA-N
XLogP1.34
TPSA87.38 Ų
H-Bond Donors4
H-Bond Acceptors4
Rotatable Bonds8
Heavy Atoms24
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500333.48
LogP ≤ 51.34
H-Bond Donors ≤ 54
H-Bond Acceptors ≤ 104

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Related Compounds

3-amino-N-cyclopentyl-2-hydroxy-4-phenylbutanamide
CID 23297928
N-cyclohexyl-2-(2-phenylpropylamino)propanamide
CID 115569785
3-amino-N-cyclopropyl-2-hydroxy-4-phenylbutanamide
CID 66644721
3-amino-N-cyclopropyl-2-hydroxy-4-phenylbutanamide;dihydrochloride
CID 66644720
(2S)-2-[(3-amino-2-hydroxy-4-phenylbutyl)amino]-4-methylpentanoic acid
CID 57064467
benzyl N-[(2S)-1-(cyclohexylamino)-1-oxopropan-2-yl]carbamate
CID 18108659
benzyl N-[(2R)-1-(cycloheptylamino)-1-oxopropan-2-yl]carbamate
CID 39958646
(2R)-2-amino-N-[(1S)-1-cyclohexylethyl]-3-phenylpropanamide
CID 81386066
2-amino-N-[(1R)-1-cycloheptylethyl]-3-phenylpropanamide
CID 81389396
3-amino-N-[(2S,3S)-4-[[(2S)-1-(cyclohexylamino)-1-oxopropan-2-yl]amino]-3-hydroxy-1-phenylbutan-2-yl]-5-(2-oxopyrrolidin-1-yl)benzamide
CID 69356617
N-[(2S,3R)-4-[[1-(cyclohexylamino)-1-oxopropan-2-yl]amino]-3-hydroxy-1-phenylbutan-2-yl]-3-(N-methylsulfonylanilino)benzamide
CID 70346255
N-cyclopentyl-2-(2-hydroxypropylamino)propanamide
CID 43389370

Frequently Asked Questions

What is the IUPAC name of (2S)-2-[[(2R,3S)-3-amino-2-hydroxy-4-phenylbutyl]amino]-N-cyclohexylpropanamide?
The IUPAC name of (2S)-2-[[(2R,3S)-3-amino-2-hydroxy-4-phenylbutyl]amino]-N-cyclohexylpropanamide (CID 69359753) is (2S)-2-[[(2R,3S)-3-amino-2-hydroxy-4-phenylbutyl]amino]-N-cyclohexylpropanamide.
What is the SMILES notation for (2S)-2-[[(2R,3S)-3-amino-2-hydroxy-4-phenylbutyl]amino]-N-cyclohexylpropanamide?
The canonical SMILES for (2S)-2-[[(2R,3S)-3-amino-2-hydroxy-4-phenylbutyl]amino]-N-cyclohexylpropanamide is C[C@H](NC[C@@H](O)[C@@H](N)Cc1ccccc1)C(=O)NC1CCCCC1.
What is the InChIKey of (2S)-2-[[(2R,3S)-3-amino-2-hydroxy-4-phenylbutyl]amino]-N-cyclohexylpropanamide?
The InChIKey is YLUGZDLKFDBWGR-JCGIZDLHSA-N. The full InChI is InChI=1S/C19H31N3O2/c1-14(19(24)22-16-10-6-3-7-11-16)21-13-18(23)17(20)12-15-8-4-2-5-9-15/h2,4-5,8-9,14,16-18,21,23H,3,6-7,10-13,20H2,1H3,(H,22,24)/t14-,17-,18+/m0/s1.
What are the key properties of (2S)-2-[[(2R,3S)-3-amino-2-hydroxy-4-phenylbutyl]amino]-N-cyclohexylpropanamide?
(2S)-2-[[(2R,3S)-3-amino-2-hydroxy-4-phenylbutyl]amino]-N-cyclohexylpropanamide has a molecular weight of 333.48 g/mol, XLogP of 1.34, 8 rotatable bonds, 4 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for (2S)-2-[[(2R,3S)-3-amino-2-hydroxy-4-phenylbutyl]amino]-N-cyclohexylpropanamide is sourced from PubChem (CID 69359753), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).