2-amino-N-(cyclohexylmethyl)-N-cyclopropyl-6-methylbenzamide

C18H26N2O — CID 61108963

IUPAC2-amino-N-(cyclohexylmethyl)-N-cyclopropyl-6-methylbenzamide
SMILESCc1cccc(N)c1C(=O)N(CC1CCCCC1)C1CC1
InChIInChI=1S/C18H26N2O/c1-13-6-5-9-16(19)17(13)18(21)20(15-10-11-15)12-14-7-3-2-4-8-14/h5-6,9,14-15H,2-4,7-8,10-12,19H2,1H3
InChIKeyBHHYDCLRKDDPCM-UHFFFAOYSA-N
MW286.42 g/mol
LogP3.76
Rot. Bonds4

About 2-amino-N-(cyclohexylmethyl)-N-cyclopropyl-6-methylbenzamide

2-amino-N-(cyclohexylmethyl)-N-cyclopropyl-6-methylbenzamide (PubChem CID 61108963) has the molecular formula C18H26N2O and a molecular weight of 286.42 g/mol. Its IUPAC name is 2-amino-N-(cyclohexylmethyl)-N-cyclopropyl-6-methylbenzamide.

Molecular Properties

Compound Name2-amino-N-(cyclohexylmethyl)-N-cyclopropyl-6-methylbenzamide
PubChem CID61108963
Molecular FormulaC18H26N2O
Molecular Weight286.42 g/mol
Exact Mass286.20
IUPAC Name2-amino-N-(cyclohexylmethyl)-N-cyclopropyl-6-methylbenzamide
SMILESCc1cccc(N)c1C(=O)N(CC1CCCCC1)C1CC1
InChIInChI=1S/C18H26N2O/c1-13-6-5-9-16(19)17(13)18(21)20(15-10-11-15)12-14-7-3-2-4-8-14/h5-6,9,14-15H,2-4,7-8,10-12,19H2,1H3
InChIKeyBHHYDCLRKDDPCM-UHFFFAOYSA-N
XLogP3.76
TPSA46.33 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds4
Heavy Atoms21
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500286.42
LogP ≤ 53.76
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 102

Computed Properties (RDKit)

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

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Related Compounds

2-amino-N-cyclopentyl-N-[2-(dimethylamino)ethyl]-6-methylbenzamide
CID 61114023
3-amino-N-(cyclohexylmethyl)-N-cyclopropyl-4-methylbenzamide
CID 60963343
2-amino-N-(cyclopropylmethyl)-N-ethyl-6-methylbenzamide
CID 63954074
2-amino-N-(2-cyanoethyl)-N-cyclopropyl-6-methylbenzamide
CID 61139154
2-amino-N-cyclopropyl-6-methyl-N-(pyridin-2-ylmethyl)benzamide
CID 61113549
cyclopentylmethyl 2-amino-6-methylbenzoate
CID 61343221
3-amino-N-(cyclohexylmethyl)-N,2-dimethylbenzamide
CID 61109740
3-amino-N-cyclopropyl-N-(cyclopropylmethyl)-2-hydroxybenzamide
CID 113386511
5-amino-N-cyclopropyl-N-(cyclopropylmethyl)-2,4-dimethylbenzamide
CID 102705640
cyclopropylmethyl 2-amino-6-methylbenzoate
CID 61310985
N-(cyclohexylmethyl)-N-cyclopropyl-4-fluorobenzamide
CID 61053717
2-amino-6-chloro-N-(cyclopropylmethyl)-N-methylbenzamide
CID 63658050

Frequently Asked Questions

What is the IUPAC name of 2-amino-N-(cyclohexylmethyl)-N-cyclopropyl-6-methylbenzamide?
The IUPAC name of 2-amino-N-(cyclohexylmethyl)-N-cyclopropyl-6-methylbenzamide (CID 61108963) is 2-amino-N-(cyclohexylmethyl)-N-cyclopropyl-6-methylbenzamide.
What is the SMILES notation for 2-amino-N-(cyclohexylmethyl)-N-cyclopropyl-6-methylbenzamide?
The canonical SMILES for 2-amino-N-(cyclohexylmethyl)-N-cyclopropyl-6-methylbenzamide is Cc1cccc(N)c1C(=O)N(CC1CCCCC1)C1CC1.
What is the InChIKey of 2-amino-N-(cyclohexylmethyl)-N-cyclopropyl-6-methylbenzamide?
The InChIKey is BHHYDCLRKDDPCM-UHFFFAOYSA-N. The full InChI is InChI=1S/C18H26N2O/c1-13-6-5-9-16(19)17(13)18(21)20(15-10-11-15)12-14-7-3-2-4-8-14/h5-6,9,14-15H,2-4,7-8,10-12,19H2,1H3.
What are the key properties of 2-amino-N-(cyclohexylmethyl)-N-cyclopropyl-6-methylbenzamide?
2-amino-N-(cyclohexylmethyl)-N-cyclopropyl-6-methylbenzamide has a molecular weight of 286.42 g/mol, XLogP of 3.76, 4 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 2-amino-N-(cyclohexylmethyl)-N-cyclopropyl-6-methylbenzamide is sourced from PubChem (CID 61108963), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).