N-[4-[(4-aminocyclohexyl)amino]-4-oxobutyl]-2-ethoxybenzamide;hydrochloride

C19H30ClN3O3 — CID 119476321

IUPACN-[4-[(4-aminocyclohexyl)amino]-4-oxobutyl]-2-ethoxybenzamide;hydrochloride
SMILESCCOc1ccccc1C(=O)NCCCC(=O)NC1CCC(N)CC1.Cl
InChIInChI=1S/C19H29N3O3.ClH/c1-2-25-17-7-4-3-6-16(17)19(24)21-13-5-8-18(23)22-15-11-9-14(20)10-12-15;/h3-4,6-7,14-15H,2,5,8-13,20H2,1H3,(H,21,24)(H,22,23);1H
InChIKeyMCCCIAMLUBCDDL-UHFFFAOYSA-N
MW383.92 g/mol
LogP2.40
Rot. Bonds8

About N-[4-[(4-aminocyclohexyl)amino]-4-oxobutyl]-2-ethoxybenzamide;hydrochloride

N-[4-[(4-aminocyclohexyl)amino]-4-oxobutyl]-2-ethoxybenzamide;hydrochloride (PubChem CID 119476321) has the molecular formula C19H30ClN3O3 and a molecular weight of 383.92 g/mol. Its IUPAC name is N-[4-[(4-aminocyclohexyl)amino]-4-oxobutyl]-2-ethoxybenzamide;hydrochloride.

Molecular Properties

Compound NameN-[4-[(4-aminocyclohexyl)amino]-4-oxobutyl]-2-ethoxybenzamide;hydrochloride
PubChem CID119476321
Molecular FormulaC19H30ClN3O3
Molecular Weight383.92 g/mol
Exact Mass383.20
IUPAC NameN-[4-[(4-aminocyclohexyl)amino]-4-oxobutyl]-2-ethoxybenzamide;hydrochloride
SMILESCCOc1ccccc1C(=O)NCCCC(=O)NC1CCC(N)CC1.Cl
InChIInChI=1S/C19H29N3O3.ClH/c1-2-25-17-7-4-3-6-16(17)19(24)21-13-5-8-18(23)22-15-11-9-14(20)10-12-15;/h3-4,6-7,14-15H,2,5,8-13,20H2,1H3,(H,21,24)(H,22,23);1H
InChIKeyMCCCIAMLUBCDDL-UHFFFAOYSA-N
XLogP2.40
TPSA93.45 Ų
H-Bond Donors3
H-Bond Acceptors4
Rotatable Bonds8
Heavy Atoms26
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500383.92
LogP ≤ 52.40
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

N-[4-(cyclohexylamino)-4-oxobutyl]-2-ethoxybenzamide
CID 51237421
cis-(1S,3R)-3-[4-[(2-ethoxybenzoyl)amino]butanoylamino]cyclopentane-1-carboxylic acid
CID 120675480
2-ethoxy-N-[4-oxo-4-(piperidin-3-ylamino)butyl]benzamide;hydrochloride
CID 119426258
N-[4-[2-(cyclopentylcarbamothioyl)hydrazinyl]-4-oxobutyl]-2-ethoxybenzamide
CID 9090176
2-ethoxy-N-[4-(3-hydroxypropylamino)-4-oxobutyl]benzamide
CID 78854842
N-(4-aminocyclohexyl)-2-prop-2-enoxybenzamide;hydrochloride
CID 119478882
2-ethoxy-N-[4-oxo-4-(2,4,4-trimethylpentan-2-ylamino)butyl]benzamide
CID 52559669
N-[4-[[cyclopropyl(phenyl)methyl]amino]-4-oxobutyl]-2-ethoxybenzamide
CID 51296073
4-[[2-(cyclopropylmethoxy)benzoyl]amino]butanoic acid
CID 119170749
N-[4-[[1-(aminomethyl)cyclopentyl]amino]-4-oxobutyl]-2-ethoxybenzamide
CID 119566320
N-[4-[cyclopentyl(ethyl)amino]-4-oxobutyl]-2-ethoxybenzamide
CID 134060964
N-[2-(cycloheptylamino)ethyl]-2-ethoxybenzamide;hydrochloride
CID 119620937

Frequently Asked Questions

What is the IUPAC name of N-[4-[(4-aminocyclohexyl)amino]-4-oxobutyl]-2-ethoxybenzamide;hydrochloride?
The IUPAC name of N-[4-[(4-aminocyclohexyl)amino]-4-oxobutyl]-2-ethoxybenzamide;hydrochloride (CID 119476321) is N-[4-[(4-aminocyclohexyl)amino]-4-oxobutyl]-2-ethoxybenzamide;hydrochloride.
What is the SMILES notation for N-[4-[(4-aminocyclohexyl)amino]-4-oxobutyl]-2-ethoxybenzamide;hydrochloride?
The canonical SMILES for N-[4-[(4-aminocyclohexyl)amino]-4-oxobutyl]-2-ethoxybenzamide;hydrochloride is CCOc1ccccc1C(=O)NCCCC(=O)NC1CCC(N)CC1.Cl.
What is the InChIKey of N-[4-[(4-aminocyclohexyl)amino]-4-oxobutyl]-2-ethoxybenzamide;hydrochloride?
The InChIKey is MCCCIAMLUBCDDL-UHFFFAOYSA-N. The full InChI is InChI=1S/C19H29N3O3.ClH/c1-2-25-17-7-4-3-6-16(17)19(24)21-13-5-8-18(23)22-15-11-9-14(20)10-12-15;/h3-4,6-7,14-15H,2,5,8-13,20H2,1H3,(H,21,24)(H,22,23);1H.
What are the key properties of N-[4-[(4-aminocyclohexyl)amino]-4-oxobutyl]-2-ethoxybenzamide;hydrochloride?
N-[4-[(4-aminocyclohexyl)amino]-4-oxobutyl]-2-ethoxybenzamide;hydrochloride has a molecular weight of 383.92 g/mol, XLogP of 2.40, 8 rotatable bonds, 3 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for N-[4-[(4-aminocyclohexyl)amino]-4-oxobutyl]-2-ethoxybenzamide;hydrochloride is sourced from PubChem (CID 119476321), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).