N,N-dimethyl-3-[(4-phenylcyclohexyl)amino]propanamide

C17H26N2O — CID 60925916

IUPACN,N-dimethyl-3-[(4-phenylcyclohexyl)amino]propanamide
SMILESCN(C)C(=O)CCNC1CCC(c2ccccc2)CC1
InChIInChI=1S/C17H26N2O/c1-19(2)17(20)12-13-18-16-10-8-15(9-11-16)14-6-4-3-5-7-14/h3-7,15-16,18H,8-13H2,1-2H3
InChIKeyQFDIKFANGXJHKT-UHFFFAOYSA-N
MW274.41 g/mol
LogP2.78
Rot. Bonds5

About N,N-dimethyl-3-[(4-phenylcyclohexyl)amino]propanamide

N,N-dimethyl-3-[(4-phenylcyclohexyl)amino]propanamide (PubChem CID 60925916) has the molecular formula C17H26N2O and a molecular weight of 274.41 g/mol. Its IUPAC name is N,N-dimethyl-3-[(4-phenylcyclohexyl)amino]propanamide.

Molecular Properties

Compound NameN,N-dimethyl-3-[(4-phenylcyclohexyl)amino]propanamide
PubChem CID60925916
Molecular FormulaC17H26N2O
Molecular Weight274.41 g/mol
Exact Mass274.20
IUPAC NameN,N-dimethyl-3-[(4-phenylcyclohexyl)amino]propanamide
SMILESCN(C)C(=O)CCNC1CCC(c2ccccc2)CC1
InChIInChI=1S/C17H26N2O/c1-19(2)17(20)12-13-18-16-10-8-15(9-11-16)14-6-4-3-5-7-14/h3-7,15-16,18H,8-13H2,1-2H3
InChIKeyQFDIKFANGXJHKT-UHFFFAOYSA-N
XLogP2.78
TPSA32.34 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds5
Heavy Atoms20
Complexity

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500274.41
LogP ≤ 52.78
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 102

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Frequently Asked Questions

What is the IUPAC name of N,N-dimethyl-3-[(4-phenylcyclohexyl)amino]propanamide?
The IUPAC name of N,N-dimethyl-3-[(4-phenylcyclohexyl)amino]propanamide (CID 60925916) is N,N-dimethyl-3-[(4-phenylcyclohexyl)amino]propanamide.
What is the SMILES notation for N,N-dimethyl-3-[(4-phenylcyclohexyl)amino]propanamide?
The canonical SMILES for N,N-dimethyl-3-[(4-phenylcyclohexyl)amino]propanamide is CN(C)C(=O)CCNC1CCC(c2ccccc2)CC1.
What is the InChIKey of N,N-dimethyl-3-[(4-phenylcyclohexyl)amino]propanamide?
The InChIKey is QFDIKFANGXJHKT-UHFFFAOYSA-N. The full InChI is InChI=1S/C17H26N2O/c1-19(2)17(20)12-13-18-16-10-8-15(9-11-16)14-6-4-3-5-7-14/h3-7,15-16,18H,8-13H2,1-2H3.
What are the key properties of N,N-dimethyl-3-[(4-phenylcyclohexyl)amino]propanamide?
N,N-dimethyl-3-[(4-phenylcyclohexyl)amino]propanamide has a molecular weight of 274.41 g/mol, XLogP of 2.78, 5 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for N,N-dimethyl-3-[(4-phenylcyclohexyl)amino]propanamide is sourced from PubChem (CID 60925916), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).