N-(1-cyanocyclohexyl)-2-[(6-methoxynaphthalen-2-yl)methyl-methylamino]propanamide

C23H29N3O2 — CID 18197675

IUPACN-(1-cyanocyclohexyl)-2-[(6-methoxynaphthalen-2-yl)methyl-methylamino]propanamide
SMILESCOc1ccc2cc(CN(C)C(C)C(=O)NC3(C#N)CCCCC3)ccc2c1
InChIInChI=1S/C23H29N3O2/c1-17(22(27)25-23(16-24)11-5-4-6-12-23)26(2)15-18-7-8-20-14-21(28-3)10-9-19(20)13-18/h7-10,13-14,17H,4-6,11-12,15H2,1-3H3,(H,25,27)
InChIKeyTYHYAUAGOBSBOL-UHFFFAOYSA-N
MW379.50 g/mol
LogP4.01
Rot. Bonds6

About N-(1-cyanocyclohexyl)-2-[(6-methoxynaphthalen-2-yl)methyl-methylamino]propanamide

N-(1-cyanocyclohexyl)-2-[(6-methoxynaphthalen-2-yl)methyl-methylamino]propanamide (PubChem CID 18197675) has the molecular formula C23H29N3O2 and a molecular weight of 379.50 g/mol. Its IUPAC name is N-(1-cyanocyclohexyl)-2-[(6-methoxynaphthalen-2-yl)methyl-methylamino]propanamide.

Molecular Properties

Compound NameN-(1-cyanocyclohexyl)-2-[(6-methoxynaphthalen-2-yl)methyl-methylamino]propanamide
PubChem CID18197675
Molecular FormulaC23H29N3O2
Molecular Weight379.50 g/mol
Exact Mass379.23
IUPAC NameN-(1-cyanocyclohexyl)-2-[(6-methoxynaphthalen-2-yl)methyl-methylamino]propanamide
SMILESCOc1ccc2cc(CN(C)C(C)C(=O)NC3(C#N)CCCCC3)ccc2c1
InChIInChI=1S/C23H29N3O2/c1-17(22(27)25-23(16-24)11-5-4-6-12-23)26(2)15-18-7-8-20-14-21(28-3)10-9-19(20)13-18/h7-10,13-14,17H,4-6,11-12,15H2,1-3H3,(H,25,27)
InChIKeyTYHYAUAGOBSBOL-UHFFFAOYSA-N
XLogP4.01
TPSA65.36 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds6
Heavy Atoms28
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500379.50
LogP ≤ 54.01
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

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Related Compounds

N-(1-cyanocyclohexyl)-2-[(3,4-dimethoxyphenyl)methyl-methylamino]propanamide
CID 18078815
N-(1-cyanocyclohexyl)-2-[methyl-[(4-propan-2-ylphenyl)methyl]amino]propanamide
CID 18083556
4-[[[1-[(1-cyanocyclohexyl)amino]-1-oxopropan-2-yl]-methylamino]methyl]-N-methylbenzamide
CID 55412402
N-(1-cyanocyclopentyl)-2-[[(2R)-1-(4-methoxyphenyl)propan-2-yl]-methylamino]acetamide
CID 95158339
2-[(2-chlorophenyl)methyl-methylamino]-N-(1-cyanocyclohexyl)propanamide
CID 18078808
(2R)-2-[(6-methoxynaphthalen-2-yl)methyl-methylamino]-N,N-dimethylpropanamide
CID 8925163
N-(1-cyanocyclohexyl)-2-[methyl-[2-(2-methylphenoxy)ethyl]amino]propanamide
CID 18094775
(2R)-N-[(4-fluorophenyl)methyl]-2-[(6-methoxynaphthalen-2-yl)methyl-methylamino]propanamide
CID 41375901
N-(1-cyanocyclopentyl)-2-(4-methoxyphenyl)sulfanylpropanamide
CID 87017619
(2S)-2-[(6-methoxynaphthalen-2-yl)methyl-methylamino]-N-(2-methoxyphenyl)propanamide
CID 9054255
4-[[(2S)-2-[(6-methoxynaphthalen-2-yl)methyl-methylamino]propanoyl]amino]benzamide
CID 9054222
(2R)-2-[(6-methoxynaphthalen-2-yl)methyl-methylamino]-N-(3-methylphenyl)propanamide
CID 25482866

Frequently Asked Questions

What is the IUPAC name of N-(1-cyanocyclohexyl)-2-[(6-methoxynaphthalen-2-yl)methyl-methylamino]propanamide?
The IUPAC name of N-(1-cyanocyclohexyl)-2-[(6-methoxynaphthalen-2-yl)methyl-methylamino]propanamide (CID 18197675) is N-(1-cyanocyclohexyl)-2-[(6-methoxynaphthalen-2-yl)methyl-methylamino]propanamide.
What is the SMILES notation for N-(1-cyanocyclohexyl)-2-[(6-methoxynaphthalen-2-yl)methyl-methylamino]propanamide?
The canonical SMILES for N-(1-cyanocyclohexyl)-2-[(6-methoxynaphthalen-2-yl)methyl-methylamino]propanamide is COc1ccc2cc(CN(C)C(C)C(=O)NC3(C#N)CCCCC3)ccc2c1.
What is the InChIKey of N-(1-cyanocyclohexyl)-2-[(6-methoxynaphthalen-2-yl)methyl-methylamino]propanamide?
The InChIKey is TYHYAUAGOBSBOL-UHFFFAOYSA-N. The full InChI is InChI=1S/C23H29N3O2/c1-17(22(27)25-23(16-24)11-5-4-6-12-23)26(2)15-18-7-8-20-14-21(28-3)10-9-19(20)13-18/h7-10,13-14,17H,4-6,11-12,15H2,1-3H3,(H,25,27).
What are the key properties of N-(1-cyanocyclohexyl)-2-[(6-methoxynaphthalen-2-yl)methyl-methylamino]propanamide?
N-(1-cyanocyclohexyl)-2-[(6-methoxynaphthalen-2-yl)methyl-methylamino]propanamide has a molecular weight of 379.50 g/mol, XLogP of 4.01, 6 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for N-(1-cyanocyclohexyl)-2-[(6-methoxynaphthalen-2-yl)methyl-methylamino]propanamide is sourced from PubChem (CID 18197675), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).