N-[4-[[1-(aminomethyl)cyclopentyl]amino]-4-oxobutyl]-2-ethoxybenzamide

C19H29N3O3 — CID 119566320

IUPACN-[4-[[1-(aminomethyl)cyclopentyl]amino]-4-oxobutyl]-2-ethoxybenzamide
SMILESCCOc1ccccc1C(=O)NCCCC(=O)NC1(CN)CCCC1
InChIInChI=1S/C19H29N3O3/c1-2-25-16-9-4-3-8-15(16)18(24)21-13-7-10-17(23)22-19(14-20)11-5-6-12-19/h3-4,8-9H,2,5-7,10-14,20H2,1H3,(H,21,24)(H,22,23)
InChIKeyXPUUTJPMVQXCCZ-UHFFFAOYSA-N
MW347.46 g/mol
LogP1.98
Rot. Bonds9

About N-[4-[[1-(aminomethyl)cyclopentyl]amino]-4-oxobutyl]-2-ethoxybenzamide

N-[4-[[1-(aminomethyl)cyclopentyl]amino]-4-oxobutyl]-2-ethoxybenzamide (PubChem CID 119566320) has the molecular formula C19H29N3O3 and a molecular weight of 347.46 g/mol. Its IUPAC name is N-[4-[[1-(aminomethyl)cyclopentyl]amino]-4-oxobutyl]-2-ethoxybenzamide.

Molecular Properties

Compound NameN-[4-[[1-(aminomethyl)cyclopentyl]amino]-4-oxobutyl]-2-ethoxybenzamide
PubChem CID119566320
Molecular FormulaC19H29N3O3
Molecular Weight347.46 g/mol
Exact Mass347.22
IUPAC NameN-[4-[[1-(aminomethyl)cyclopentyl]amino]-4-oxobutyl]-2-ethoxybenzamide
SMILESCCOc1ccccc1C(=O)NCCCC(=O)NC1(CN)CCCC1
InChIInChI=1S/C19H29N3O3/c1-2-25-16-9-4-3-8-15(16)18(24)21-13-7-10-17(23)22-19(14-20)11-5-6-12-19/h3-4,8-9H,2,5-7,10-14,20H2,1H3,(H,21,24)(H,22,23)
InChIKeyXPUUTJPMVQXCCZ-UHFFFAOYSA-N
XLogP1.98
TPSA93.45 Ų
H-Bond Donors3
H-Bond Acceptors4
Rotatable Bonds9
Heavy Atoms25
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500347.46
LogP ≤ 51.98
H-Bond Donors ≤ 53
H-Bond Acceptors ≤ 104

Computed Properties (RDKit)

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

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Related Compounds

2-ethoxy-N-[4-(3-hydroxypropylamino)-4-oxobutyl]benzamide
CID 78854842
N-[4-(cyclohexylamino)-4-oxobutyl]-2-ethoxybenzamide
CID 51237421
N-[[1-(aminomethyl)cyclohexyl]methyl]-2-ethoxybenzamide
CID 103970265
N-[1-(aminomethyl)-4-methylcyclohexyl]-2-ethoxybenzamide
CID 63765711
N-[1-(aminomethyl)-3-methylcyclohexyl]-2-ethoxybenzamide
CID 63754045
N-[4-[(4-aminocyclohexyl)amino]-4-oxobutyl]-2-ethoxybenzamide;hydrochloride
CID 119476321
2-ethoxy-N-[4-oxo-4-(2,4,4-trimethylpentan-2-ylamino)butyl]benzamide
CID 52559669
2-ethoxy-N-[4-(2-ethylanilino)-4-oxobutyl]benzamide
CID 8565305
N-(4-chlorobutyl)-2-ethoxybenzamide
CID 106845375
N-[4-(2,3-dichloroanilino)-4-oxobutyl]-2-ethoxybenzamide
CID 26586169
N-[4-[2-(cyclopentylcarbamothioyl)hydrazinyl]-4-oxobutyl]-2-ethoxybenzamide
CID 9090176
2-[4-[(2-ethoxybenzoyl)amino]butanoylamino]-2-phenylacetic acid
CID 119113379

Frequently Asked Questions

What is the IUPAC name of N-[4-[[1-(aminomethyl)cyclopentyl]amino]-4-oxobutyl]-2-ethoxybenzamide?
The IUPAC name of N-[4-[[1-(aminomethyl)cyclopentyl]amino]-4-oxobutyl]-2-ethoxybenzamide (CID 119566320) is N-[4-[[1-(aminomethyl)cyclopentyl]amino]-4-oxobutyl]-2-ethoxybenzamide.
What is the SMILES notation for N-[4-[[1-(aminomethyl)cyclopentyl]amino]-4-oxobutyl]-2-ethoxybenzamide?
The canonical SMILES for N-[4-[[1-(aminomethyl)cyclopentyl]amino]-4-oxobutyl]-2-ethoxybenzamide is CCOc1ccccc1C(=O)NCCCC(=O)NC1(CN)CCCC1.
What is the InChIKey of N-[4-[[1-(aminomethyl)cyclopentyl]amino]-4-oxobutyl]-2-ethoxybenzamide?
The InChIKey is XPUUTJPMVQXCCZ-UHFFFAOYSA-N. The full InChI is InChI=1S/C19H29N3O3/c1-2-25-16-9-4-3-8-15(16)18(24)21-13-7-10-17(23)22-19(14-20)11-5-6-12-19/h3-4,8-9H,2,5-7,10-14,20H2,1H3,(H,21,24)(H,22,23).
What are the key properties of N-[4-[[1-(aminomethyl)cyclopentyl]amino]-4-oxobutyl]-2-ethoxybenzamide?
N-[4-[[1-(aminomethyl)cyclopentyl]amino]-4-oxobutyl]-2-ethoxybenzamide has a molecular weight of 347.46 g/mol, XLogP of 1.98, 9 rotatable bonds, 3 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for N-[4-[[1-(aminomethyl)cyclopentyl]amino]-4-oxobutyl]-2-ethoxybenzamide is sourced from PubChem (CID 119566320), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).