N-[4-[[(2S)-3-amino-1-(hydroxyamino)-1-oxopropan-2-yl]amino]-4-oxobutyl]-4-phenylbenzamide

C20H24N4O4 — CID 87836455

IUPACN-[4-[[(2S)-3-amino-1-(hydroxyamino)-1-oxopropan-2-yl]amino]-4-oxobutyl]-4-phenylbenzamide
SMILESNC[C@H](NC(=O)CCCNC(=O)c1ccc(-c2ccccc2)cc1)C(=O)NO
InChIInChI=1S/C20H24N4O4/c21-13-17(20(27)24-28)23-18(25)7-4-12-22-19(26)16-10-8-15(9-11-16)14-5-2-1-3-6-14/h1-3,5-6,8-11,17,28H,4,7,12-13,21H2,(H,22,26)(H,23,25)(H,24,27)/t17-/m0/s1
InChIKeyIEWTYKSZACYZGN-KRWDZBQOSA-N
MW384.44 g/mol
LogP0.81
Rot. Bonds9

About N-[4-[[(2S)-3-amino-1-(hydroxyamino)-1-oxopropan-2-yl]amino]-4-oxobutyl]-4-phenylbenzamide

N-[4-[[(2S)-3-amino-1-(hydroxyamino)-1-oxopropan-2-yl]amino]-4-oxobutyl]-4-phenylbenzamide (PubChem CID 87836455) has the molecular formula C20H24N4O4 and a molecular weight of 384.44 g/mol. Its IUPAC name is N-[4-[[(2S)-3-amino-1-(hydroxyamino)-1-oxopropan-2-yl]amino]-4-oxobutyl]-4-phenylbenzamide.

Molecular Properties

Compound NameN-[4-[[(2S)-3-amino-1-(hydroxyamino)-1-oxopropan-2-yl]amino]-4-oxobutyl]-4-phenylbenzamide
PubChem CID87836455
Molecular FormulaC20H24N4O4
Molecular Weight384.44 g/mol
Exact Mass384.18
IUPAC NameN-[4-[[(2S)-3-amino-1-(hydroxyamino)-1-oxopropan-2-yl]amino]-4-oxobutyl]-4-phenylbenzamide
SMILESNC[C@H](NC(=O)CCCNC(=O)c1ccc(-c2ccccc2)cc1)C(=O)NO
InChIInChI=1S/C20H24N4O4/c21-13-17(20(27)24-28)23-18(25)7-4-12-22-19(26)16-10-8-15(9-11-16)14-5-2-1-3-6-14/h1-3,5-6,8-11,17,28H,4,7,12-13,21H2,(H,22,26)(H,23,25)(H,24,27)/t17-/m0/s1
InChIKeyIEWTYKSZACYZGN-KRWDZBQOSA-N
XLogP0.81
TPSA133.55 Ų
H-Bond Donors5
H-Bond Acceptors5
Rotatable Bonds9
Heavy Atoms28
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500384.44
LogP ≤ 50.81
H-Bond Donors ≤ 55
H-Bond Acceptors ≤ 105

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'Aliphatic_long_chain', 'substructure': 'N/A'}, {'alert_name': 'hydroxamic_acid', 'substructure': 'N/A'}, {'alert_name': 'Oxygen-nitrogen_single_bond', 'substructure': 'N/A'}

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Related Compounds

N-[4-(1-aminohexan-2-ylamino)-4-oxobutyl]benzamide
CID 119668614
N-butyl-4-phenylbenzamide
CID 3637649
4-[4-[(2-aminoacetyl)amino]phenyl]-N-[(2S)-3-amino-1-(hydroxyamino)-1-oxopropan-2-yl]benzamide
CID 87199616
N-(4-hydrazinyl-4-oxobutyl)benzamide
CID 4736868
(2S)-3-amino-N-hydroxy-2-[3-(2-hydroxyphenyl)propanoylamino]propanamide
CID 90735772
N-[2-hydroxy-3-(hydroxyamino)-3-oxopropyl]-4-phenylbenzamide
CID 59697016
N-[4-[(2-amino-1-cyclohexylethyl)amino]-4-oxobutyl]benzamide
CID 119591993
N-(3-acetamidopropyl)-4-phenylbenzamide
CID 38450168
N-[4-oxo-4-[1-(4-phenylphenyl)ethylamino]butyl]thiophene-3-carboxamide
CID 24683991
N-[4-(butylamino)-4-oxobutyl]benzamide
CID 78795173
diethyl-[3-[(4-phenylbenzoyl)amino]propyl]azanium
CID 7029075
(2S)-3-amino-N-hydroxy-2-[(4-phenylphenyl)methylamino]propanamide
CID 59697068

Frequently Asked Questions

What is the IUPAC name of N-[4-[[(2S)-3-amino-1-(hydroxyamino)-1-oxopropan-2-yl]amino]-4-oxobutyl]-4-phenylbenzamide?
The IUPAC name of N-[4-[[(2S)-3-amino-1-(hydroxyamino)-1-oxopropan-2-yl]amino]-4-oxobutyl]-4-phenylbenzamide (CID 87836455) is N-[4-[[(2S)-3-amino-1-(hydroxyamino)-1-oxopropan-2-yl]amino]-4-oxobutyl]-4-phenylbenzamide.
What is the SMILES notation for N-[4-[[(2S)-3-amino-1-(hydroxyamino)-1-oxopropan-2-yl]amino]-4-oxobutyl]-4-phenylbenzamide?
The canonical SMILES for N-[4-[[(2S)-3-amino-1-(hydroxyamino)-1-oxopropan-2-yl]amino]-4-oxobutyl]-4-phenylbenzamide is NC[C@H](NC(=O)CCCNC(=O)c1ccc(-c2ccccc2)cc1)C(=O)NO.
What is the InChIKey of N-[4-[[(2S)-3-amino-1-(hydroxyamino)-1-oxopropan-2-yl]amino]-4-oxobutyl]-4-phenylbenzamide?
The InChIKey is IEWTYKSZACYZGN-KRWDZBQOSA-N. The full InChI is InChI=1S/C20H24N4O4/c21-13-17(20(27)24-28)23-18(25)7-4-12-22-19(26)16-10-8-15(9-11-16)14-5-2-1-3-6-14/h1-3,5-6,8-11,17,28H,4,7,12-13,21H2,(H,22,26)(H,23,25)(H,24,27)/t17-/m0/s1.
What are the key properties of N-[4-[[(2S)-3-amino-1-(hydroxyamino)-1-oxopropan-2-yl]amino]-4-oxobutyl]-4-phenylbenzamide?
N-[4-[[(2S)-3-amino-1-(hydroxyamino)-1-oxopropan-2-yl]amino]-4-oxobutyl]-4-phenylbenzamide has a molecular weight of 384.44 g/mol, XLogP of 0.81, 9 rotatable bonds, 5 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for N-[4-[[(2S)-3-amino-1-(hydroxyamino)-1-oxopropan-2-yl]amino]-4-oxobutyl]-4-phenylbenzamide is sourced from PubChem (CID 87836455), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).