N-[(3S,4R)-1-amino-4-hydroxy-2-oxopentan-3-yl]-4-(4-propylphenyl)benzamide

C21H26N2O3 — CID 58342560

IUPACN-[(3S,4R)-1-amino-4-hydroxy-2-oxopentan-3-yl]-4-(4-propylphenyl)benzamide
SMILESCCCc1ccc(-c2ccc(C(=O)N[C@H](C(=O)CN)[C@@H](C)O)cc2)cc1
InChIInChI=1S/C21H26N2O3/c1-3-4-15-5-7-16(8-6-15)17-9-11-18(12-10-17)21(26)23-20(14(2)24)19(25)13-22/h5-12,14,20,24H,3-4,13,22H2,1-2H3,(H,23,26)/t14-,20+/m1/s1
InChIKeyZGTVLWINDASASS-VLIAUNLRSA-N
MW354.45 g/mol
LogP2.31
Rot. Bonds8

About N-[(3S,4R)-1-amino-4-hydroxy-2-oxopentan-3-yl]-4-(4-propylphenyl)benzamide

N-[(3S,4R)-1-amino-4-hydroxy-2-oxopentan-3-yl]-4-(4-propylphenyl)benzamide (PubChem CID 58342560) has the molecular formula C21H26N2O3 and a molecular weight of 354.45 g/mol. Its IUPAC name is N-[(3S,4R)-1-amino-4-hydroxy-2-oxopentan-3-yl]-4-(4-propylphenyl)benzamide.

Molecular Properties

Compound NameN-[(3S,4R)-1-amino-4-hydroxy-2-oxopentan-3-yl]-4-(4-propylphenyl)benzamide
PubChem CID58342560
Molecular FormulaC21H26N2O3
Molecular Weight354.45 g/mol
Exact Mass354.19
IUPAC NameN-[(3S,4R)-1-amino-4-hydroxy-2-oxopentan-3-yl]-4-(4-propylphenyl)benzamide
SMILESCCCc1ccc(-c2ccc(C(=O)N[C@H](C(=O)CN)[C@@H](C)O)cc2)cc1
InChIInChI=1S/C21H26N2O3/c1-3-4-15-5-7-16(8-6-15)17-9-11-18(12-10-17)21(26)23-20(14(2)24)19(25)13-22/h5-12,14,20,24H,3-4,13,22H2,1-2H3,(H,23,26)/t14-,20+/m1/s1
InChIKeyZGTVLWINDASASS-VLIAUNLRSA-N
XLogP2.31
TPSA92.42 Ų
H-Bond Donors3
H-Bond Acceptors4
Rotatable Bonds8
Heavy Atoms26
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500354.45
LogP ≤ 52.31
H-Bond Donors ≤ 53
H-Bond Acceptors ≤ 104

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Related Compounds

4-[4-(2-aminoethyl)phenyl]-N-[(3S,4R)-1,4-dihydroxy-2-oxopentan-3-yl]benzamide
CID 58342514
4-(4-butylphenyl)-N-[(3S,4R)-1,4-dihydroxy-2-oxopentan-3-yl]benzamide
CID 58343538
4-[4-(2-aminoethyl)phenyl]-N-[(2S,3R)-3-hydroxy-1-(hydroxyamino)-1-oxobutan-2-yl]benzamide
CID 59698253
N-[(3S,4R)-1,4-dihydroxy-2-oxopentan-3-yl]-4-(4-hydroxyphenyl)benzamide
CID 58343342
4-[4-(ethylaminomethyl)phenyl]-N-[(2S,3R)-3-hydroxy-1-(hydroxyamino)-1-oxobutan-2-yl]benzamide
CID 87199911
tert-butyl N-[2-[4-[4-[[(3S,4R)-1,4-dihydroxy-2-oxopentan-3-yl]carbamoyl]phenyl]phenyl]ethyl]carbamate
CID 58342914
N-(1-amino-4-methylpentan-2-yl)-4-propylbenzamide
CID 119588043
N-[(3S,4R)-1,4-dihydroxy-2-oxopentan-3-yl]-4-(5-phenylpentyl)benzamide
CID 58342840
4-[4-(4-butylphenyl)buta-1,3-diynyl]-N-[(3S,4R)-1,4-dihydroxy-2-oxopentan-3-yl]benzamide
CID 58343429
N-[(3S,4R)-1,4-dihydroxy-2-oxopentan-3-yl]-4-[4-(trifluoromethyl)phenyl]benzamide
CID 58342744
N-[(3R)-3-hydroxy-1-(hydroxyamino)-1-oxobutan-2-yl]-4-[2-(4-methylphenyl)ethyl]benzamide
CID 59417442
N-[(2R,3S)-7-[carbamothioyl(hydroxy)amino]-2-hydroxy-4-oxoheptan-3-yl]-4-(4-ethylphenyl)benzamide
CID 58342801

Frequently Asked Questions

What is the IUPAC name of N-[(3S,4R)-1-amino-4-hydroxy-2-oxopentan-3-yl]-4-(4-propylphenyl)benzamide?
The IUPAC name of N-[(3S,4R)-1-amino-4-hydroxy-2-oxopentan-3-yl]-4-(4-propylphenyl)benzamide (CID 58342560) is N-[(3S,4R)-1-amino-4-hydroxy-2-oxopentan-3-yl]-4-(4-propylphenyl)benzamide.
What is the SMILES notation for N-[(3S,4R)-1-amino-4-hydroxy-2-oxopentan-3-yl]-4-(4-propylphenyl)benzamide?
The canonical SMILES for N-[(3S,4R)-1-amino-4-hydroxy-2-oxopentan-3-yl]-4-(4-propylphenyl)benzamide is CCCc1ccc(-c2ccc(C(=O)N[C@H](C(=O)CN)[C@@H](C)O)cc2)cc1.
What is the InChIKey of N-[(3S,4R)-1-amino-4-hydroxy-2-oxopentan-3-yl]-4-(4-propylphenyl)benzamide?
The InChIKey is ZGTVLWINDASASS-VLIAUNLRSA-N. The full InChI is InChI=1S/C21H26N2O3/c1-3-4-15-5-7-16(8-6-15)17-9-11-18(12-10-17)21(26)23-20(14(2)24)19(25)13-22/h5-12,14,20,24H,3-4,13,22H2,1-2H3,(H,23,26)/t14-,20+/m1/s1.
What are the key properties of N-[(3S,4R)-1-amino-4-hydroxy-2-oxopentan-3-yl]-4-(4-propylphenyl)benzamide?
N-[(3S,4R)-1-amino-4-hydroxy-2-oxopentan-3-yl]-4-(4-propylphenyl)benzamide has a molecular weight of 354.45 g/mol, XLogP of 2.31, 8 rotatable bonds, 3 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for N-[(3S,4R)-1-amino-4-hydroxy-2-oxopentan-3-yl]-4-(4-propylphenyl)benzamide is sourced from PubChem (CID 58342560), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).