N-[4-[(2-amino-1-cyclohexylethyl)amino]-4-oxobutyl]benzamide

C19H29N3O2 — CID 119591993

IUPACN-[4-[(2-amino-1-cyclohexylethyl)amino]-4-oxobutyl]benzamide
SMILESNCC(NC(=O)CCCNC(=O)c1ccccc1)C1CCCCC1
InChIInChI=1S/C19H29N3O2/c20-14-17(15-8-3-1-4-9-15)22-18(23)12-7-13-21-19(24)16-10-5-2-6-11-16/h2,5-6,10-11,15,17H,1,3-4,7-9,12-14,20H2,(H,21,24)(H,22,23)
InChIKeyREXZVOKRHUFSPC-UHFFFAOYSA-N
MW331.46 g/mol
LogP2.22
Rot. Bonds8

About N-[4-[(2-amino-1-cyclohexylethyl)amino]-4-oxobutyl]benzamide

N-[4-[(2-amino-1-cyclohexylethyl)amino]-4-oxobutyl]benzamide (PubChem CID 119591993) has the molecular formula C19H29N3O2 and a molecular weight of 331.46 g/mol. Its IUPAC name is N-[4-[(2-amino-1-cyclohexylethyl)amino]-4-oxobutyl]benzamide.

Molecular Properties

Compound NameN-[4-[(2-amino-1-cyclohexylethyl)amino]-4-oxobutyl]benzamide
PubChem CID119591993
Molecular FormulaC19H29N3O2
Molecular Weight331.46 g/mol
Exact Mass331.23
IUPAC NameN-[4-[(2-amino-1-cyclohexylethyl)amino]-4-oxobutyl]benzamide
SMILESNCC(NC(=O)CCCNC(=O)c1ccccc1)C1CCCCC1
InChIInChI=1S/C19H29N3O2/c20-14-17(15-8-3-1-4-9-15)22-18(23)12-7-13-21-19(24)16-10-5-2-6-11-16/h2,5-6,10-11,15,17H,1,3-4,7-9,12-14,20H2,(H,21,24)(H,22,23)
InChIKeyREXZVOKRHUFSPC-UHFFFAOYSA-N
XLogP2.22
TPSA84.22 Ų
H-Bond Donors3
H-Bond Acceptors3
Rotatable Bonds8
Heavy Atoms24
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500331.46
LogP ≤ 52.22
H-Bond Donors ≤ 53
H-Bond Acceptors ≤ 103

Computed Properties (RDKit)

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

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Related Compounds

N-[4-[(2-amino-1-cyclohexylethyl)amino]-4-oxobutyl]thiophene-3-carboxamide;hydrochloride
CID 119589940
N-[3-[(2-amino-1-cyclohexylethyl)amino]-3-oxopropyl]naphthalene-2-carboxamide
CID 119591532
N-[4-[(2-amino-1-cyclohexylethyl)amino]-4-oxobutyl]-2,4-difluorobenzamide
CID 119590822
N-(2-amino-1-cyclohexylethyl)-3-phenylpropanamide;hydrochloride
CID 119260925
N-(2-amino-1-cyclohexylethyl)-4-(methylamino)butanamide
CID 122080634
N-[3-[(2-amino-1-cyclohexylethyl)amino]-3-oxopropyl]furan-2-carboxamide;hydrochloride
CID 119589410
N-(2-amino-1-cyclopropylethyl)-4-phenylbutanamide
CID 65189008
N-[2-[(2-amino-1-cyclohexylethyl)amino]-2-oxoethyl]-3-bromobenzamide;hydrochloride
CID 119589813
3-[(2-amino-1-cyclohexylethyl)carbamoyl]benzoic acid
CID 122153095
N-(2-amino-1-cyclohexylethyl)pentanamide;hydrochloride
CID 119589343
N-[4-(1-aminohexan-2-ylamino)-4-oxobutyl]benzamide
CID 119668614
N-[4-[[(4-chlorophenyl)-cyclopropylmethyl]amino]-4-oxobutyl]benzamide
CID 51187247

Frequently Asked Questions

What is the IUPAC name of N-[4-[(2-amino-1-cyclohexylethyl)amino]-4-oxobutyl]benzamide?
The IUPAC name of N-[4-[(2-amino-1-cyclohexylethyl)amino]-4-oxobutyl]benzamide (CID 119591993) is N-[4-[(2-amino-1-cyclohexylethyl)amino]-4-oxobutyl]benzamide.
What is the SMILES notation for N-[4-[(2-amino-1-cyclohexylethyl)amino]-4-oxobutyl]benzamide?
The canonical SMILES for N-[4-[(2-amino-1-cyclohexylethyl)amino]-4-oxobutyl]benzamide is NCC(NC(=O)CCCNC(=O)c1ccccc1)C1CCCCC1.
What is the InChIKey of N-[4-[(2-amino-1-cyclohexylethyl)amino]-4-oxobutyl]benzamide?
The InChIKey is REXZVOKRHUFSPC-UHFFFAOYSA-N. The full InChI is InChI=1S/C19H29N3O2/c20-14-17(15-8-3-1-4-9-15)22-18(23)12-7-13-21-19(24)16-10-5-2-6-11-16/h2,5-6,10-11,15,17H,1,3-4,7-9,12-14,20H2,(H,21,24)(H,22,23).
What are the key properties of N-[4-[(2-amino-1-cyclohexylethyl)amino]-4-oxobutyl]benzamide?
N-[4-[(2-amino-1-cyclohexylethyl)amino]-4-oxobutyl]benzamide has a molecular weight of 331.46 g/mol, XLogP of 2.22, 8 rotatable bonds, 3 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for N-[4-[(2-amino-1-cyclohexylethyl)amino]-4-oxobutyl]benzamide is sourced from PubChem (CID 119591993), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).