methyl 5-[[2-(benzylamino)benzoyl]amino]pentanoate

C20H24N2O3 — CID 75436256

IUPACmethyl 5-[[2-(benzylamino)benzoyl]amino]pentanoate
SMILESCOC(=O)CCCCNC(=O)c1ccccc1NCc1ccccc1
InChIInChI=1S/C20H24N2O3/c1-25-19(23)13-7-8-14-21-20(24)17-11-5-6-12-18(17)22-15-16-9-3-2-4-10-16/h2-6,9-12,22H,7-8,13-15H2,1H3,(H,21,24)
InChIKeyWUSQXBKZTLZIPV-UHFFFAOYSA-N
MW340.42 g/mol
LogP3.37
Rot. Bonds9

About methyl 5-[[2-(benzylamino)benzoyl]amino]pentanoate

methyl 5-[[2-(benzylamino)benzoyl]amino]pentanoate (PubChem CID 75436256) has the molecular formula C20H24N2O3 and a molecular weight of 340.42 g/mol. Its IUPAC name is methyl 5-[[2-(benzylamino)benzoyl]amino]pentanoate.

Molecular Properties

Compound Namemethyl 5-[[2-(benzylamino)benzoyl]amino]pentanoate
PubChem CID75436256
Molecular FormulaC20H24N2O3
Molecular Weight340.42 g/mol
Exact Mass340.18
IUPAC Namemethyl 5-[[2-(benzylamino)benzoyl]amino]pentanoate
SMILESCOC(=O)CCCCNC(=O)c1ccccc1NCc1ccccc1
InChIInChI=1S/C20H24N2O3/c1-25-19(23)13-7-8-14-21-20(24)17-11-5-6-12-18(17)22-15-16-9-3-2-4-10-16/h2-6,9-12,22H,7-8,13-15H2,1H3,(H,21,24)
InChIKeyWUSQXBKZTLZIPV-UHFFFAOYSA-N
XLogP3.37
TPSA67.43 Ų
H-Bond Donors2
H-Bond Acceptors4
Rotatable Bonds9
Heavy Atoms25
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500340.42
LogP ≤ 53.37
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 104

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'Aliphatic_long_chain', 'substructure': 'N/A'}

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Related Compounds

2-(benzylamino)-N-butylbenzamide
CID 86102037
2-[(4-methoxy-4-oxobutyl)carbamoyl]benzoic acid
CID 60662850
methyl 4-[(2-benzylbenzoyl)amino]butanoate
CID 112794767
N-(3-phenylpropyl)-2-(pyridin-4-ylmethylamino)benzamide
CID 15462164
2-(benzylamino)-N-propan-2-ylbenzamide
CID 110486900
methyl 4-[(2-fluorobenzoyl)amino]butanoate
CID 60645325
2-(benzylamino)-N-[4-(quinolin-4-ylamino)butyl]benzamide
CID 162368751
2-(ethylamino)-N-(4-methoxybutyl)benzamide
CID 55047330
methyl 4-[(2-benzoylbenzoyl)amino]butanoate
CID 33234645
methyl 6-[(2-oxo-1H-pyridine-3-carbonyl)amino]hexanoate
CID 31842152
methyl 6-[(2-nitrobenzoyl)amino]hexanoate
CID 31839179
methyl 6-[(3-hydroxy-2-methylbenzoyl)amino]hexanoate
CID 82786633

Frequently Asked Questions

What is the IUPAC name of methyl 5-[[2-(benzylamino)benzoyl]amino]pentanoate?
The IUPAC name of methyl 5-[[2-(benzylamino)benzoyl]amino]pentanoate (CID 75436256) is methyl 5-[[2-(benzylamino)benzoyl]amino]pentanoate.
What is the SMILES notation for methyl 5-[[2-(benzylamino)benzoyl]amino]pentanoate?
The canonical SMILES for methyl 5-[[2-(benzylamino)benzoyl]amino]pentanoate is COC(=O)CCCCNC(=O)c1ccccc1NCc1ccccc1.
What is the InChIKey of methyl 5-[[2-(benzylamino)benzoyl]amino]pentanoate?
The InChIKey is WUSQXBKZTLZIPV-UHFFFAOYSA-N. The full InChI is InChI=1S/C20H24N2O3/c1-25-19(23)13-7-8-14-21-20(24)17-11-5-6-12-18(17)22-15-16-9-3-2-4-10-16/h2-6,9-12,22H,7-8,13-15H2,1H3,(H,21,24).
What are the key properties of methyl 5-[[2-(benzylamino)benzoyl]amino]pentanoate?
methyl 5-[[2-(benzylamino)benzoyl]amino]pentanoate has a molecular weight of 340.42 g/mol, XLogP of 3.37, 9 rotatable bonds, 2 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for methyl 5-[[2-(benzylamino)benzoyl]amino]pentanoate is sourced from PubChem (CID 75436256), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).