N-[(3S,4R)-4-amino-1-hydroxy-2-oxopentan-3-yl]-4-[2-[4-(morpholin-4-ylmethyl)phenyl]ethyl]benzamide

C25H33N3O4 — CID 158328594

IUPACN-[(3S,4R)-4-amino-1-hydroxy-2-oxopentan-3-yl]-4-[2-[4-(morpholin-4-ylmethyl)phenyl]ethyl]benzamide
SMILESC[C@@H](N)[C@H](NC(=O)c1ccc(CCc2ccc(CN3CCOCC3)cc2)cc1)C(=O)CO
InChIInChI=1S/C25H33N3O4/c1-18(26)24(23(30)17-29)27-25(31)22-10-8-20(9-11-22)3-2-19-4-6-21(7-5-19)16-28-12-14-32-15-13-28/h4-11,18,24,29H,2-3,12-17,26H2,1H3,(H,27,31)/t18-,24+/m1/s1
InChIKeyUACFMFJPQPQAIX-KOSHJBKYSA-N
MW439.56 g/mol
LogP1.31
Rot. Bonds10

About N-[(3S,4R)-4-amino-1-hydroxy-2-oxopentan-3-yl]-4-[2-[4-(morpholin-4-ylmethyl)phenyl]ethyl]benzamide

N-[(3S,4R)-4-amino-1-hydroxy-2-oxopentan-3-yl]-4-[2-[4-(morpholin-4-ylmethyl)phenyl]ethyl]benzamide (PubChem CID 158328594) has the molecular formula C25H33N3O4 and a molecular weight of 439.56 g/mol. Its IUPAC name is N-[(3S,4R)-4-amino-1-hydroxy-2-oxopentan-3-yl]-4-[2-[4-(morpholin-4-ylmethyl)phenyl]ethyl]benzamide.

Molecular Properties

Compound NameN-[(3S,4R)-4-amino-1-hydroxy-2-oxopentan-3-yl]-4-[2-[4-(morpholin-4-ylmethyl)phenyl]ethyl]benzamide
PubChem CID158328594
Molecular FormulaC25H33N3O4
Molecular Weight439.56 g/mol
Exact Mass439.25
IUPAC NameN-[(3S,4R)-4-amino-1-hydroxy-2-oxopentan-3-yl]-4-[2-[4-(morpholin-4-ylmethyl)phenyl]ethyl]benzamide
SMILESC[C@@H](N)[C@H](NC(=O)c1ccc(CCc2ccc(CN3CCOCC3)cc2)cc1)C(=O)CO
InChIInChI=1S/C25H33N3O4/c1-18(26)24(23(30)17-29)27-25(31)22-10-8-20(9-11-22)3-2-19-4-6-21(7-5-19)16-28-12-14-32-15-13-28/h4-11,18,24,29H,2-3,12-17,26H2,1H3,(H,27,31)/t18-,24+/m1/s1
InChIKeyUACFMFJPQPQAIX-KOSHJBKYSA-N
XLogP1.31
TPSA104.89 Ų
H-Bond Donors3
H-Bond Acceptors6
Rotatable Bonds10
Heavy Atoms32
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500439.56
LogP ≤ 51.31
H-Bond Donors ≤ 53
H-Bond Acceptors ≤ 106

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Related Compounds

N-[(2S,3R)-3-amino-1-(hydroxyamino)-1-oxobutan-2-yl]-4-[(E)-2-[4-(morpholin-4-ylmethyl)phenyl]ethenyl]benzamide
CID 89048229
N-[(2S,3S)-3-amino-1-(hydroxyamino)-1-oxobutan-2-yl]-4-[2-[4-(morpholin-4-ylmethyl)phenyl]ethynyl]benzamide
CID 59417115
N-[(2S,3R)-3-amino-1-(hydroxyamino)-1-oxobutan-2-yl]-4-[hydroxy-[4-(morpholin-4-ylmethyl)phenyl]methyl]benzamide
CID 89047911
N-(3-methylbutan-2-yl)-4-(morpholin-4-ylmethyl)benzamide
CID 133244954
N-[(2S,3R)-3-amino-1-(hydroxyamino)-1-oxobutan-2-yl]-4-[4-(1,4-oxazepan-4-ylmethyl)phenyl]benzamide
CID 89047977
N-butan-2-yl-4-(morpholin-4-ylmethyl)benzamide
CID 2863525
(2S,3R)-3-hydroxy-2-[[4-[4-(morpholin-4-ylmethyl)phenyl]sulfanylbenzoyl]amino]butanoic acid
CID 141486427
N-[(2S)-1-amino-4-hydroxy-3-oxobutan-2-yl]-4-[2-[4-(morpholin-4-ylmethyl)phenyl]ethynyl]benzamide
CID 58342566
N-[3-hydroxy-1-(hydroxyamino)-1-oxobutan-2-yl]-4-[4-[4-(morpholin-4-ylmethyl)phenyl]piperazin-1-yl]benzamide
CID 91504815
N-[(2S)-3-hydroxy-1-(hydroxyamino)-1-oxobutan-2-yl]-4-[2-[4-(morpholin-4-ylmethyl)phenyl]ethynyl]benzamide
CID 87684440
N-[(1R)-1-(3,4-dimethylphenyl)ethyl]-4-(morpholin-4-ylmethyl)benzamide
CID 94013989
N-[(1R)-1-(3,4-dimethoxyphenyl)ethyl]-4-(morpholin-4-ylmethyl)benzamide
CID 92677739

Frequently Asked Questions

What is the IUPAC name of N-[(3S,4R)-4-amino-1-hydroxy-2-oxopentan-3-yl]-4-[2-[4-(morpholin-4-ylmethyl)phenyl]ethyl]benzamide?
The IUPAC name of N-[(3S,4R)-4-amino-1-hydroxy-2-oxopentan-3-yl]-4-[2-[4-(morpholin-4-ylmethyl)phenyl]ethyl]benzamide (CID 158328594) is N-[(3S,4R)-4-amino-1-hydroxy-2-oxopentan-3-yl]-4-[2-[4-(morpholin-4-ylmethyl)phenyl]ethyl]benzamide.
What is the SMILES notation for N-[(3S,4R)-4-amino-1-hydroxy-2-oxopentan-3-yl]-4-[2-[4-(morpholin-4-ylmethyl)phenyl]ethyl]benzamide?
The canonical SMILES for N-[(3S,4R)-4-amino-1-hydroxy-2-oxopentan-3-yl]-4-[2-[4-(morpholin-4-ylmethyl)phenyl]ethyl]benzamide is C[C@@H](N)[C@H](NC(=O)c1ccc(CCc2ccc(CN3CCOCC3)cc2)cc1)C(=O)CO.
What is the InChIKey of N-[(3S,4R)-4-amino-1-hydroxy-2-oxopentan-3-yl]-4-[2-[4-(morpholin-4-ylmethyl)phenyl]ethyl]benzamide?
The InChIKey is UACFMFJPQPQAIX-KOSHJBKYSA-N. The full InChI is InChI=1S/C25H33N3O4/c1-18(26)24(23(30)17-29)27-25(31)22-10-8-20(9-11-22)3-2-19-4-6-21(7-5-19)16-28-12-14-32-15-13-28/h4-11,18,24,29H,2-3,12-17,26H2,1H3,(H,27,31)/t18-,24+/m1/s1.
What are the key properties of N-[(3S,4R)-4-amino-1-hydroxy-2-oxopentan-3-yl]-4-[2-[4-(morpholin-4-ylmethyl)phenyl]ethyl]benzamide?
N-[(3S,4R)-4-amino-1-hydroxy-2-oxopentan-3-yl]-4-[2-[4-(morpholin-4-ylmethyl)phenyl]ethyl]benzamide has a molecular weight of 439.56 g/mol, XLogP of 1.31, 10 rotatable bonds, 3 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for N-[(3S,4R)-4-amino-1-hydroxy-2-oxopentan-3-yl]-4-[2-[4-(morpholin-4-ylmethyl)phenyl]ethyl]benzamide is sourced from PubChem (CID 158328594), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).