N-[2-(aminomethyl)cyclohexyl]-4-butoxybenzamide

C18H28N2O2 — CID 119610066

IUPACN-[2-(aminomethyl)cyclohexyl]-4-butoxybenzamide
SMILESCCCCOc1ccc(C(=O)NC2CCCCC2CN)cc1
InChIInChI=1S/C18H28N2O2/c1-2-3-12-22-16-10-8-14(9-11-16)18(21)20-17-7-5-4-6-15(17)13-19/h8-11,15,17H,2-7,12-13,19H2,1H3,(H,20,21)
InChIKeyHILVCGGCJLTKHX-UHFFFAOYSA-N
MW304.43 g/mol
LogP3.11
Rot. Bonds7

About N-[2-(aminomethyl)cyclohexyl]-4-butoxybenzamide

N-[2-(aminomethyl)cyclohexyl]-4-butoxybenzamide (PubChem CID 119610066) has the molecular formula C18H28N2O2 and a molecular weight of 304.43 g/mol. Its IUPAC name is N-[2-(aminomethyl)cyclohexyl]-4-butoxybenzamide.

Molecular Properties

Compound NameN-[2-(aminomethyl)cyclohexyl]-4-butoxybenzamide
PubChem CID119610066
Molecular FormulaC18H28N2O2
Molecular Weight304.43 g/mol
Exact Mass304.22
IUPAC NameN-[2-(aminomethyl)cyclohexyl]-4-butoxybenzamide
SMILESCCCCOc1ccc(C(=O)NC2CCCCC2CN)cc1
InChIInChI=1S/C18H28N2O2/c1-2-3-12-22-16-10-8-14(9-11-16)18(21)20-17-7-5-4-6-15(17)13-19/h8-11,15,17H,2-7,12-13,19H2,1H3,(H,20,21)
InChIKeyHILVCGGCJLTKHX-UHFFFAOYSA-N
XLogP3.11
TPSA64.35 Ų
H-Bond Donors2
H-Bond Acceptors3
Rotatable Bonds7
Heavy Atoms22
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500304.43
LogP ≤ 53.11
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 103

Computed Properties (RDKit)

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

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Related Compounds

N-[2-(aminomethyl)cyclohexyl]-4-(2-amino-2-oxoethoxy)benzamide;hydrochloride
CID 119609783
N-[2-(aminomethyl)cyclopentyl]-4-(cyclopropylmethoxy)benzamide;hydrochloride
CID 119602452
N-[2-(aminomethyl)cyclohexyl]-2-(4-propoxyphenoxy)acetamide
CID 119609351
N-[2-(aminomethyl)cyclopentyl]-4-prop-2-enoxybenzamide;hydrochloride
CID 119604415
4-butoxy-N-cyclobutylbenzamide
CID 71449411
N-[2-(aminomethyl)cyclopentyl]-4-propanoylbenzamide
CID 119603540
N-[2-(aminomethyl)cyclohexyl]-4-(difluoromethoxy)benzamide;hydrochloride
CID 119609331
N-[2-(aminomethyl)cyclohexyl]-3-(2-methoxyethoxy)benzamide
CID 119609171
N-[2-(aminomethyl)cyclopentyl]-3,4-dipropoxybenzamide;hydrochloride
CID 119604451
4-ethoxy-N-[2-(hydroxymethyl)cyclopentyl]benzamide
CID 103751428
N-[2-(aminomethyl)cyclohexyl]-3,4,5-triethoxybenzamide
CID 119610034
N-[2-(aminomethyl)cyclohexyl]-4-[(5-ethyl-1,2,4-oxadiazol-3-yl)methoxy]benzamide;hydrochloride
CID 119610419

Frequently Asked Questions

What is the IUPAC name of N-[2-(aminomethyl)cyclohexyl]-4-butoxybenzamide?
The IUPAC name of N-[2-(aminomethyl)cyclohexyl]-4-butoxybenzamide (CID 119610066) is N-[2-(aminomethyl)cyclohexyl]-4-butoxybenzamide.
What is the SMILES notation for N-[2-(aminomethyl)cyclohexyl]-4-butoxybenzamide?
The canonical SMILES for N-[2-(aminomethyl)cyclohexyl]-4-butoxybenzamide is CCCCOc1ccc(C(=O)NC2CCCCC2CN)cc1.
What is the InChIKey of N-[2-(aminomethyl)cyclohexyl]-4-butoxybenzamide?
The InChIKey is HILVCGGCJLTKHX-UHFFFAOYSA-N. The full InChI is InChI=1S/C18H28N2O2/c1-2-3-12-22-16-10-8-14(9-11-16)18(21)20-17-7-5-4-6-15(17)13-19/h8-11,15,17H,2-7,12-13,19H2,1H3,(H,20,21).
What are the key properties of N-[2-(aminomethyl)cyclohexyl]-4-butoxybenzamide?
N-[2-(aminomethyl)cyclohexyl]-4-butoxybenzamide has a molecular weight of 304.43 g/mol, XLogP of 3.11, 7 rotatable bonds, 2 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for N-[2-(aminomethyl)cyclohexyl]-4-butoxybenzamide is sourced from PubChem (CID 119610066), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).