(2S)-2-benzamido-N'-hydroxy-N-phenylheptanediamide

C20H23N3O4 — CID 131854526

IUPAC(2S)-2-benzamido-N'-hydroxy-N-phenylheptanediamide
SMILESO=C(CCCC[C@H](NC(=O)c1ccccc1)C(=O)Nc1ccccc1)NO
InChIInChI=1S/C20H23N3O4/c24-18(23-27)14-8-7-13-17(20(26)21-16-11-5-2-6-12-16)22-19(25)15-9-3-1-4-10-15/h1-6,9-12,17,27H,7-8,13-14H2,(H,21,26)(H,22,25)(H,23,24)/t17-/m0/s1
InChIKeyKIQUFOQJKHDPCD-KRWDZBQOSA-N
MW369.42 g/mol
LogP2.49
Rot. Bonds9

About (2S)-2-benzamido-N'-hydroxy-N-phenylheptanediamide

(2S)-2-benzamido-N'-hydroxy-N-phenylheptanediamide (PubChem CID 131854526) has the molecular formula C20H23N3O4 and a molecular weight of 369.42 g/mol. Its IUPAC name is (2S)-2-benzamido-N'-hydroxy-N-phenylheptanediamide.

Molecular Properties

Compound Name(2S)-2-benzamido-N'-hydroxy-N-phenylheptanediamide
PubChem CID131854526
Molecular FormulaC20H23N3O4
Molecular Weight369.42 g/mol
Exact Mass369.17
IUPAC Name(2S)-2-benzamido-N'-hydroxy-N-phenylheptanediamide
SMILESO=C(CCCC[C@H](NC(=O)c1ccccc1)C(=O)Nc1ccccc1)NO
InChIInChI=1S/C20H23N3O4/c24-18(23-27)14-8-7-13-17(20(26)21-16-11-5-2-6-12-16)22-19(25)15-9-3-1-4-10-15/h1-6,9-12,17,27H,7-8,13-14H2,(H,21,26)(H,22,25)(H,23,24)/t17-/m0/s1
InChIKeyKIQUFOQJKHDPCD-KRWDZBQOSA-N
XLogP2.49
TPSA107.53 Ų
H-Bond Donors4
H-Bond Acceptors4
Rotatable Bonds9
Heavy Atoms27
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500369.42
LogP ≤ 52.49
H-Bond Donors ≤ 54
H-Bond Acceptors ≤ 104

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

2-benzamido-N'-nitroso-N-phenyloctanediamide
CID 163993312
N'-hydroxy-N-phenyl-2-(thiophene-2-carbonylamino)octanediamide
CID 23557354
(2S)-2-[(4-tert-butylphenyl)carbamoylamino]-N'-hydroxy-N-phenyloctanediamide
CID 11676844
2-(cyclohexanecarbonylamino)-N'-hydroxy-N-phenyloctanediamide
CID 23557292
2-amino-N'-hydroxy-N-phenyloctanediamide
CID 89108892
N-[(2R)-6-amino-1-(hydroxyamino)-1-oxohexan-2-yl]benzamide
CID 20646768
(2S)-N'-hydroxy-2-[[(2S)-6-oxopiperidine-2-carbonyl]amino]-N-phenyloctanediamide
CID 72946640
N'-hydroxy-2-methoxy-N-phenyloctanediamide
CID 25065930
4-(dimethylamino)-N-[(2R)-3-[4-(hydroxyamino)-4-oxobutyl]sulfanyl-1-oxo-1-(4-phenylanilino)propan-2-yl]benzamide
CID 11466533
(7S)-7-benzamido-8-oxo-8-(quinolin-6-ylamino)octanoic acid
CID 58840912
N-[2-[[(2S)-1-(3-acetylanilino)-1,8-dioxodecan-2-yl]amino]-2-oxoethyl]benzamide
CID 69318533
(2S)-2-(2,3-dihydrothiophen-2-ylsulfonylamino)-N'-hydroxy-N-phenyloctanediamide
CID 89190410

Frequently Asked Questions

What is the IUPAC name of (2S)-2-benzamido-N'-hydroxy-N-phenylheptanediamide?
The IUPAC name of (2S)-2-benzamido-N'-hydroxy-N-phenylheptanediamide (CID 131854526) is (2S)-2-benzamido-N'-hydroxy-N-phenylheptanediamide.
What is the SMILES notation for (2S)-2-benzamido-N'-hydroxy-N-phenylheptanediamide?
The canonical SMILES for (2S)-2-benzamido-N'-hydroxy-N-phenylheptanediamide is O=C(CCCC[C@H](NC(=O)c1ccccc1)C(=O)Nc1ccccc1)NO.
What is the InChIKey of (2S)-2-benzamido-N'-hydroxy-N-phenylheptanediamide?
The InChIKey is KIQUFOQJKHDPCD-KRWDZBQOSA-N. The full InChI is InChI=1S/C20H23N3O4/c24-18(23-27)14-8-7-13-17(20(26)21-16-11-5-2-6-12-16)22-19(25)15-9-3-1-4-10-15/h1-6,9-12,17,27H,7-8,13-14H2,(H,21,26)(H,22,25)(H,23,24)/t17-/m0/s1.
What are the key properties of (2S)-2-benzamido-N'-hydroxy-N-phenylheptanediamide?
(2S)-2-benzamido-N'-hydroxy-N-phenylheptanediamide has a molecular weight of 369.42 g/mol, XLogP of 2.49, 9 rotatable bonds, 4 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for (2S)-2-benzamido-N'-hydroxy-N-phenylheptanediamide is sourced from PubChem (CID 131854526), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).