N-(1-cyanocyclohexyl)-2-[methyl-[2-(2-methylphenoxy)ethyl]amino]propanamide

C20H29N3O2 — CID 18094775

IUPACN-(1-cyanocyclohexyl)-2-[methyl-[2-(2-methylphenoxy)ethyl]amino]propanamide
SMILESCc1ccccc1OCCN(C)C(C)C(=O)NC1(C#N)CCCCC1
InChIInChI=1S/C20H29N3O2/c1-16-9-5-6-10-18(16)25-14-13-23(3)17(2)19(24)22-20(15-21)11-7-4-8-12-20/h5-6,9-10,17H,4,7-8,11-14H2,1-3H3,(H,22,24)
InChIKeyVMLVJYYLRSRJKV-UHFFFAOYSA-N
MW343.47 g/mol
LogP3.04
Rot. Bonds7

About N-(1-cyanocyclohexyl)-2-[methyl-[2-(2-methylphenoxy)ethyl]amino]propanamide

N-(1-cyanocyclohexyl)-2-[methyl-[2-(2-methylphenoxy)ethyl]amino]propanamide (PubChem CID 18094775) has the molecular formula C20H29N3O2 and a molecular weight of 343.47 g/mol. Its IUPAC name is N-(1-cyanocyclohexyl)-2-[methyl-[2-(2-methylphenoxy)ethyl]amino]propanamide.

Molecular Properties

Compound NameN-(1-cyanocyclohexyl)-2-[methyl-[2-(2-methylphenoxy)ethyl]amino]propanamide
PubChem CID18094775
Molecular FormulaC20H29N3O2
Molecular Weight343.47 g/mol
Exact Mass343.23
IUPAC NameN-(1-cyanocyclohexyl)-2-[methyl-[2-(2-methylphenoxy)ethyl]amino]propanamide
SMILESCc1ccccc1OCCN(C)C(C)C(=O)NC1(C#N)CCCCC1
InChIInChI=1S/C20H29N3O2/c1-16-9-5-6-10-18(16)25-14-13-23(3)17(2)19(24)22-20(15-21)11-7-4-8-12-20/h5-6,9-10,17H,4,7-8,11-14H2,1-3H3,(H,22,24)
InChIKeyVMLVJYYLRSRJKV-UHFFFAOYSA-N
XLogP3.04
TPSA65.36 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds7
Heavy Atoms25
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500343.47
LogP ≤ 53.04
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

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Related Compounds

N-(1-cyanocyclohexyl)-2-[methyl-[(4-propan-2-ylphenyl)methyl]amino]propanamide
CID 18083556
[2-[(1-cyanocyclopentyl)amino]-2-oxoethyl] 3-(2-methylphenoxy)propanoate
CID 7841982
2-[(2-chlorophenyl)methyl-methylamino]-N-(1-cyanocyclohexyl)propanamide
CID 18078808
N-(1-cyanocyclohexyl)-2-[(3,4-dimethoxyphenyl)methyl-methylamino]propanamide
CID 18078815
(2R)-N-tert-butyl-2-[methyl-[2-(2-methylphenoxy)ethyl]amino]propanamide
CID 92514457
4-[[[1-[(1-cyanocyclohexyl)amino]-1-oxopropan-2-yl]-methylamino]methyl]-N-methylbenzamide
CID 55412402
(2S)-N-benzyl-2-[methyl-[2-(2-methylphenoxy)ethyl]amino]propanamide
CID 27123609
N-(1-cyanocyclohexyl)-2-[(6-methoxynaphthalen-2-yl)methyl-methylamino]propanamide
CID 18197675
N-(tert-butylcarbamoyl)-2-[methyl-[2-(2-methylphenoxy)ethyl]amino]propanamide
CID 51245206
(2R)-N-(1-cyanocyclohexyl)-2-[methyl-[2-oxo-2-(propan-2-ylamino)ethyl]amino]propanamide
CID 9050018
(2R)-2-[methyl-[2-(2-methylphenoxy)ethyl]amino]-N-(2-propan-2-ylpyrazol-3-yl)propanamide
CID 51925651
N-(2,5-dimethoxyphenyl)-2-[methyl-[2-(2-methylphenoxy)ethyl]amino]propanamide
CID 46630124

Frequently Asked Questions

What is the IUPAC name of N-(1-cyanocyclohexyl)-2-[methyl-[2-(2-methylphenoxy)ethyl]amino]propanamide?
The IUPAC name of N-(1-cyanocyclohexyl)-2-[methyl-[2-(2-methylphenoxy)ethyl]amino]propanamide (CID 18094775) is N-(1-cyanocyclohexyl)-2-[methyl-[2-(2-methylphenoxy)ethyl]amino]propanamide.
What is the SMILES notation for N-(1-cyanocyclohexyl)-2-[methyl-[2-(2-methylphenoxy)ethyl]amino]propanamide?
The canonical SMILES for N-(1-cyanocyclohexyl)-2-[methyl-[2-(2-methylphenoxy)ethyl]amino]propanamide is Cc1ccccc1OCCN(C)C(C)C(=O)NC1(C#N)CCCCC1.
What is the InChIKey of N-(1-cyanocyclohexyl)-2-[methyl-[2-(2-methylphenoxy)ethyl]amino]propanamide?
The InChIKey is VMLVJYYLRSRJKV-UHFFFAOYSA-N. The full InChI is InChI=1S/C20H29N3O2/c1-16-9-5-6-10-18(16)25-14-13-23(3)17(2)19(24)22-20(15-21)11-7-4-8-12-20/h5-6,9-10,17H,4,7-8,11-14H2,1-3H3,(H,22,24).
What are the key properties of N-(1-cyanocyclohexyl)-2-[methyl-[2-(2-methylphenoxy)ethyl]amino]propanamide?
N-(1-cyanocyclohexyl)-2-[methyl-[2-(2-methylphenoxy)ethyl]amino]propanamide has a molecular weight of 343.47 g/mol, XLogP of 3.04, 7 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for N-(1-cyanocyclohexyl)-2-[methyl-[2-(2-methylphenoxy)ethyl]amino]propanamide is sourced from PubChem (CID 18094775), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).