N-[4-(2-aminobutyl)phenyl]-4-butylcyclohexane-1-carboxamide

C21H34N2O — CID 82259804

IUPACN-[4-(2-aminobutyl)phenyl]-4-butylcyclohexane-1-carboxamide
SMILESCCCCC1CCC(C(=O)Nc2ccc(CC(N)CC)cc2)CC1
InChIInChI=1S/C21H34N2O/c1-3-5-6-16-7-11-18(12-8-16)21(24)23-20-13-9-17(10-14-20)15-19(22)4-2/h9-10,13-14,16,18-19H,3-8,11-12,15,22H2,1-2H3,(H,23,24)
InChIKeyQONQYADPZBGDNT-UHFFFAOYSA-N
MW330.52 g/mol
LogP4.90
Rot. Bonds8

About N-[4-(2-aminobutyl)phenyl]-4-butylcyclohexane-1-carboxamide

N-[4-(2-aminobutyl)phenyl]-4-butylcyclohexane-1-carboxamide (PubChem CID 82259804) has the molecular formula C21H34N2O and a molecular weight of 330.52 g/mol. Its IUPAC name is N-[4-(2-aminobutyl)phenyl]-4-butylcyclohexane-1-carboxamide.

Molecular Properties

Compound NameN-[4-(2-aminobutyl)phenyl]-4-butylcyclohexane-1-carboxamide
PubChem CID82259804
Molecular FormulaC21H34N2O
Molecular Weight330.52 g/mol
Exact Mass330.27
IUPAC NameN-[4-(2-aminobutyl)phenyl]-4-butylcyclohexane-1-carboxamide
SMILESCCCCC1CCC(C(=O)Nc2ccc(CC(N)CC)cc2)CC1
InChIInChI=1S/C21H34N2O/c1-3-5-6-16-7-11-18(12-8-16)21(24)23-20-13-9-17(10-14-20)15-19(22)4-2/h9-10,13-14,16,18-19H,3-8,11-12,15,22H2,1-2H3,(H,23,24)
InChIKeyQONQYADPZBGDNT-UHFFFAOYSA-N
XLogP4.90
TPSA55.12 Ų
H-Bond Donors2
H-Bond Acceptors2
Rotatable Bonds8
Heavy Atoms24
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500330.52
LogP ≤ 54.90
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 102

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Related Compounds

N-[4-(2-bromo-3-methylbutyl)phenyl]-4-butylcyclohexane-1-carboxamide
CID 82259475
4-butyl-N-[4-(hydroxymethyl)phenyl]cyclohexane-1-carboxamide
CID 64792837
4-[(4-butylcyclohexanecarbonyl)amino]benzamide
CID 8884677
4-butyl-N-[4-(dimethylamino)phenyl]cyclohexane-1-carboxamide
CID 19206977
4-butyl-N-(4-methoxyphenyl)cyclohexane-1-carboxamide
CID 19206890
4-butyl-N-[4-(2-chloropropanoyl)phenyl]cyclohexane-1-carboxamide
CID 82259069
4-butyl-N-[4-[(4-methylpiperidin-1-yl)methyl]phenyl]cyclohexane-1-carboxamide
CID 108737739
N-[4-(2-bromobutyl)phenyl]cyclopropanecarboxamide
CID 82254939
N-[4-(1-aminopropyl)phenyl]cyclopropanecarboxamide
CID 82359770
N-(3-acetylphenyl)-4-butylcyclohexane-1-carboxamide
CID 19206974
4-butyl-N-[4-(6-ethylsulfonylpyridazin-3-yl)phenyl]cyclohexane-1-carboxamide
CID 41213174
N-[4-(heptan-3-ylamino)phenyl]cyclopropanecarboxamide
CID 63946276

Frequently Asked Questions

What is the IUPAC name of N-[4-(2-aminobutyl)phenyl]-4-butylcyclohexane-1-carboxamide?
The IUPAC name of N-[4-(2-aminobutyl)phenyl]-4-butylcyclohexane-1-carboxamide (CID 82259804) is N-[4-(2-aminobutyl)phenyl]-4-butylcyclohexane-1-carboxamide.
What is the SMILES notation for N-[4-(2-aminobutyl)phenyl]-4-butylcyclohexane-1-carboxamide?
The canonical SMILES for N-[4-(2-aminobutyl)phenyl]-4-butylcyclohexane-1-carboxamide is CCCCC1CCC(C(=O)Nc2ccc(CC(N)CC)cc2)CC1.
What is the InChIKey of N-[4-(2-aminobutyl)phenyl]-4-butylcyclohexane-1-carboxamide?
The InChIKey is QONQYADPZBGDNT-UHFFFAOYSA-N. The full InChI is InChI=1S/C21H34N2O/c1-3-5-6-16-7-11-18(12-8-16)21(24)23-20-13-9-17(10-14-20)15-19(22)4-2/h9-10,13-14,16,18-19H,3-8,11-12,15,22H2,1-2H3,(H,23,24).
What are the key properties of N-[4-(2-aminobutyl)phenyl]-4-butylcyclohexane-1-carboxamide?
N-[4-(2-aminobutyl)phenyl]-4-butylcyclohexane-1-carboxamide has a molecular weight of 330.52 g/mol, XLogP of 4.90, 8 rotatable bonds, 2 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for N-[4-(2-aminobutyl)phenyl]-4-butylcyclohexane-1-carboxamide is sourced from PubChem (CID 82259804), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).