2-amino-N-benzyl-N-propan-2-ylcyclohexane-1-carboxamide

C17H26N2O — CID 64818125

IUPAC2-amino-N-benzyl-N-propan-2-ylcyclohexane-1-carboxamide
SMILESCC(C)N(Cc1ccccc1)C(=O)C1CCCCC1N
InChIInChI=1S/C17H26N2O/c1-13(2)19(12-14-8-4-3-5-9-14)17(20)15-10-6-7-11-16(15)18/h3-5,8-9,13,15-16H,6-7,10-12,18H2,1-2H3
InChIKeyCBXNVQNEHMRTLV-UHFFFAOYSA-N
MW274.41 g/mol
LogP2.94
Rot. Bonds4

About 2-amino-N-benzyl-N-propan-2-ylcyclohexane-1-carboxamide

2-amino-N-benzyl-N-propan-2-ylcyclohexane-1-carboxamide (PubChem CID 64818125) has the molecular formula C17H26N2O and a molecular weight of 274.41 g/mol. Its IUPAC name is 2-amino-N-benzyl-N-propan-2-ylcyclohexane-1-carboxamide.

Molecular Properties

Compound Name2-amino-N-benzyl-N-propan-2-ylcyclohexane-1-carboxamide
PubChem CID64818125
Molecular FormulaC17H26N2O
Molecular Weight274.41 g/mol
Exact Mass274.20
IUPAC Name2-amino-N-benzyl-N-propan-2-ylcyclohexane-1-carboxamide
SMILESCC(C)N(Cc1ccccc1)C(=O)C1CCCCC1N
InChIInChI=1S/C17H26N2O/c1-13(2)19(12-14-8-4-3-5-9-14)17(20)15-10-6-7-11-16(15)18/h3-5,8-9,13,15-16H,6-7,10-12,18H2,1-2H3
InChIKeyCBXNVQNEHMRTLV-UHFFFAOYSA-N
XLogP2.94
TPSA46.33 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds4
Heavy Atoms20
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500274.41
LogP ≤ 52.94
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 102

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Related Compounds

2-amino-N-benzyl-N-propan-2-ylcyclopropane-1-carboxamide
CID 55035812
cis-(1S,2R)-2-[benzyl(propan-2-yl)carbamoyl]cyclopropane-1-carboxylic acid
CID 93320338
3-amino-N-benzyl-N-propan-2-ylcyclopentane-1-carboxamide;hydrochloride
CID 119676287
2-amino-N-ethyl-N-propan-2-ylcyclopentane-1-carboxamide
CID 64824092
N-benzyl-N-propan-2-yl-2-(pyrrolidine-1-carbonyl)cyclopropane-1-carboxamide
CID 109131864
2-amino-N-benzyl-N-(2-methoxyethyl)cyclopentane-1-carboxamide
CID 64824946
2-[[benzyl(propan-2-yl)amino]methyl]cycloheptan-1-amine
CID 62616237
N-benzyl-N-propan-2-yloxane-3-carboxamide
CID 110855554
1-(2-aminocyclohexyl)-2-phenylethanone
CID 116579753
N-[(4-aminophenyl)methyl]-N-propan-2-ylcyclohexanecarboxamide
CID 43460030
2-amino-N-(2-cyanoethyl)-N-propan-2-ylcyclohexane-1-carboxamide
CID 64823314
1-N-benzyl-2-N-butyl-2-N-methyl-1-N-propan-2-ylcyclopropane-1,2-dicarboxamide
CID 109139811

Frequently Asked Questions

What is the IUPAC name of 2-amino-N-benzyl-N-propan-2-ylcyclohexane-1-carboxamide?
The IUPAC name of 2-amino-N-benzyl-N-propan-2-ylcyclohexane-1-carboxamide (CID 64818125) is 2-amino-N-benzyl-N-propan-2-ylcyclohexane-1-carboxamide.
What is the SMILES notation for 2-amino-N-benzyl-N-propan-2-ylcyclohexane-1-carboxamide?
The canonical SMILES for 2-amino-N-benzyl-N-propan-2-ylcyclohexane-1-carboxamide is CC(C)N(Cc1ccccc1)C(=O)C1CCCCC1N.
What is the InChIKey of 2-amino-N-benzyl-N-propan-2-ylcyclohexane-1-carboxamide?
The InChIKey is CBXNVQNEHMRTLV-UHFFFAOYSA-N. The full InChI is InChI=1S/C17H26N2O/c1-13(2)19(12-14-8-4-3-5-9-14)17(20)15-10-6-7-11-16(15)18/h3-5,8-9,13,15-16H,6-7,10-12,18H2,1-2H3.
What are the key properties of 2-amino-N-benzyl-N-propan-2-ylcyclohexane-1-carboxamide?
2-amino-N-benzyl-N-propan-2-ylcyclohexane-1-carboxamide has a molecular weight of 274.41 g/mol, XLogP of 2.94, 4 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 2-amino-N-benzyl-N-propan-2-ylcyclohexane-1-carboxamide is sourced from PubChem (CID 64818125), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).