N-(1-cyanocyclohexyl)-N-methyl-2-[methyl-[(4-propan-2-ylphenyl)methyl]amino]propanamide

C22H33N3O — CID 18281034

IUPACN-(1-cyanocyclohexyl)-N-methyl-2-[methyl-[(4-propan-2-ylphenyl)methyl]amino]propanamide
SMILESCC(C)c1ccc(CN(C)C(C)C(=O)N(C)C2(C#N)CCCCC2)cc1
InChIInChI=1S/C22H33N3O/c1-17(2)20-11-9-19(10-12-20)15-24(4)18(3)21(26)25(5)22(16-23)13-7-6-8-14-22/h9-12,17-18H,6-8,13-15H2,1-5H3
InChIKeyMODBTAIYTNYTCL-UHFFFAOYSA-N
MW355.53 g/mol
LogP4.32
Rot. Bonds6

About N-(1-cyanocyclohexyl)-N-methyl-2-[methyl-[(4-propan-2-ylphenyl)methyl]amino]propanamide

N-(1-cyanocyclohexyl)-N-methyl-2-[methyl-[(4-propan-2-ylphenyl)methyl]amino]propanamide (PubChem CID 18281034) has the molecular formula C22H33N3O and a molecular weight of 355.53 g/mol. Its IUPAC name is N-(1-cyanocyclohexyl)-N-methyl-2-[methyl-[(4-propan-2-ylphenyl)methyl]amino]propanamide.

Molecular Properties

Compound NameN-(1-cyanocyclohexyl)-N-methyl-2-[methyl-[(4-propan-2-ylphenyl)methyl]amino]propanamide
PubChem CID18281034
Molecular FormulaC22H33N3O
Molecular Weight355.53 g/mol
Exact Mass355.26
IUPAC NameN-(1-cyanocyclohexyl)-N-methyl-2-[methyl-[(4-propan-2-ylphenyl)methyl]amino]propanamide
SMILESCC(C)c1ccc(CN(C)C(C)C(=O)N(C)C2(C#N)CCCCC2)cc1
InChIInChI=1S/C22H33N3O/c1-17(2)20-11-9-19(10-12-20)15-24(4)18(3)21(26)25(5)22(16-23)13-7-6-8-14-22/h9-12,17-18H,6-8,13-15H2,1-5H3
InChIKeyMODBTAIYTNYTCL-UHFFFAOYSA-N
XLogP4.32
TPSA47.34 Ų
H-Bond Donors
H-Bond Acceptors3
Rotatable Bonds6
Heavy Atoms26
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500355.53
LogP ≤ 54.32
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 103

Analyze N-(1-cyanocyclohexyl)-N-methyl-2-[methyl-[(4-propan-2-ylphenyl)methyl]amino]propanamide with MolForge

Explore ADMET properties, 3D molecular structure, drug-likeness score, and discover similar compounds using our AI-powered platform.

Launch Full Analysis

Related Compounds

N-(1-cyanocyclohexyl)-2-[methyl-[(4-propan-2-ylphenyl)methyl]amino]propanamide
CID 18083556
[(2R)-1-[(1-cyanocyclohexyl)-methylamino]-1-oxopropan-2-yl] (E)-2-cyano-3-(4-propan-2-ylphenyl)prop-2-enoate
CID 8739486
N-(1-cyano-4-methylcyclohexyl)-2-[(3-fluoro-4-methoxyphenyl)methyl-methylamino]-N-methylpropanamide
CID 78842179
(2R)-2-chloro-N-(1-cyanocyclohexyl)-N-methylpropanamide
CID 7131211
(2R)-N-(1-cyanocyclohexyl)-2-[[2-(3-fluoroanilino)-2-oxoethyl]-methylamino]-N-methylpropanamide
CID 40759586
N-(1-cyanocyclohexyl)-2-[cyclopropyl-[(4-propan-2-ylphenyl)methyl]amino]acetamide
CID 36932366
(2R)-2-[4-(1,3-benzodioxol-5-ylmethyl)piperazine-1,4-diium-1-yl]-N-(1-cyanocyclohexyl)-N-methylpropanamide
CID 9444388
4-[[[1-[(1-cyanocyclohexyl)amino]-1-oxopropan-2-yl]-methylamino]methyl]-N-methylbenzamide
CID 55412402
(2R)-N-(1-cyanocyclohexyl)-2-[4-(2-hydroxyphenyl)piperazin-1-ium-1-yl]-N-methylpropanamide
CID 9432525
2-[(4-aminophenyl)methyl-methylamino]-N,N-dimethylpropanamide
CID 43458331
[2-[(1-cyanocyclohexyl)-methylamino]-2-oxoethyl]-[(1S)-1-phenylethyl]azanium
CID 9248524
[(2R)-1-[(1-cyanocyclohexyl)-methylamino]-1-oxopropan-2-yl] 3-(3,4-dimethoxyphenyl)propanoate
CID 8734024

Frequently Asked Questions

What is the IUPAC name of N-(1-cyanocyclohexyl)-N-methyl-2-[methyl-[(4-propan-2-ylphenyl)methyl]amino]propanamide?
The IUPAC name of N-(1-cyanocyclohexyl)-N-methyl-2-[methyl-[(4-propan-2-ylphenyl)methyl]amino]propanamide (CID 18281034) is N-(1-cyanocyclohexyl)-N-methyl-2-[methyl-[(4-propan-2-ylphenyl)methyl]amino]propanamide.
What is the SMILES notation for N-(1-cyanocyclohexyl)-N-methyl-2-[methyl-[(4-propan-2-ylphenyl)methyl]amino]propanamide?
The canonical SMILES for N-(1-cyanocyclohexyl)-N-methyl-2-[methyl-[(4-propan-2-ylphenyl)methyl]amino]propanamide is CC(C)c1ccc(CN(C)C(C)C(=O)N(C)C2(C#N)CCCCC2)cc1.
What is the InChIKey of N-(1-cyanocyclohexyl)-N-methyl-2-[methyl-[(4-propan-2-ylphenyl)methyl]amino]propanamide?
The InChIKey is MODBTAIYTNYTCL-UHFFFAOYSA-N. The full InChI is InChI=1S/C22H33N3O/c1-17(2)20-11-9-19(10-12-20)15-24(4)18(3)21(26)25(5)22(16-23)13-7-6-8-14-22/h9-12,17-18H,6-8,13-15H2,1-5H3.
What are the key properties of N-(1-cyanocyclohexyl)-N-methyl-2-[methyl-[(4-propan-2-ylphenyl)methyl]amino]propanamide?
N-(1-cyanocyclohexyl)-N-methyl-2-[methyl-[(4-propan-2-ylphenyl)methyl]amino]propanamide has a molecular weight of 355.53 g/mol, XLogP of 4.32, 6 rotatable bonds, 0 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for N-(1-cyanocyclohexyl)-N-methyl-2-[methyl-[(4-propan-2-ylphenyl)methyl]amino]propanamide is sourced from PubChem (CID 18281034), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).