(2R)-N-(cyanomethyl)-3-cyclohexyl-2-[(2-ethoxyacetyl)amino]propanamide

C15H25N3O3 — CID 87848952

IUPAC(2R)-N-(cyanomethyl)-3-cyclohexyl-2-[(2-ethoxyacetyl)amino]propanamide
SMILESCCOCC(=O)N[C@H](CC1CCCCC1)C(=O)NCC#N
InChIInChI=1S/C15H25N3O3/c1-2-21-11-14(19)18-13(15(20)17-9-8-16)10-12-6-4-3-5-7-12/h12-13H,2-7,9-11H2,1H3,(H,17,20)(H,18,19)/t13-/m1/s1
InChIKeyJNFJMKQZEKWKIT-CYBMUJFWSA-N
MW295.38 g/mol
LogP1.12
Rot. Bonds8

About (2R)-N-(cyanomethyl)-3-cyclohexyl-2-[(2-ethoxyacetyl)amino]propanamide

(2R)-N-(cyanomethyl)-3-cyclohexyl-2-[(2-ethoxyacetyl)amino]propanamide (PubChem CID 87848952) has the molecular formula C15H25N3O3 and a molecular weight of 295.38 g/mol. Its IUPAC name is (2R)-N-(cyanomethyl)-3-cyclohexyl-2-[(2-ethoxyacetyl)amino]propanamide.

Molecular Properties

Compound Name(2R)-N-(cyanomethyl)-3-cyclohexyl-2-[(2-ethoxyacetyl)amino]propanamide
PubChem CID87848952
Molecular FormulaC15H25N3O3
Molecular Weight295.38 g/mol
Exact Mass295.19
IUPAC Name(2R)-N-(cyanomethyl)-3-cyclohexyl-2-[(2-ethoxyacetyl)amino]propanamide
SMILESCCOCC(=O)N[C@H](CC1CCCCC1)C(=O)NCC#N
InChIInChI=1S/C15H25N3O3/c1-2-21-11-14(19)18-13(15(20)17-9-8-16)10-12-6-4-3-5-7-12/h12-13H,2-7,9-11H2,1H3,(H,17,20)(H,18,19)/t13-/m1/s1
InChIKeyJNFJMKQZEKWKIT-CYBMUJFWSA-N
XLogP1.12
TPSA91.22 Ų
H-Bond Donors2
H-Bond Acceptors4
Rotatable Bonds8
Heavy Atoms21
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500295.38
LogP ≤ 51.12
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 104

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'cyanamide', 'substructure': 'N/A'}

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Related Compounds

N-[cyano(cyclohexyl)methyl]-2-ethoxyacetamide
CID 55136713
N-[(2S)-1-(cyanomethylamino)-3-cyclohexyl-1-oxopropan-2-yl]-3,4,5-trimethoxybenzamide
CID 87850224
N-[(2S)-1-(cyanomethylamino)-3-cyclohexyl-1-oxopropan-2-yl]-4-methoxybenzamide
CID 87849661
N-[1-(cyanomethylamino)-3-cyclohexyl-1-oxopropan-2-yl]-3,4-dimethoxybenzamide
CID 18421765
3-(cyanomethylamino)-2-(cyclohexylmethyl)-3-oxopropanoic acid
CID 87850180
N-[(2S)-1-(cyanomethylamino)-3-cyclohexyl-1-oxopropan-2-yl]pyridine-4-carboxamide
CID 87849842
N-[1-(cyanomethylamino)-3-cyclohexyl-1-oxopropan-2-yl]-2,4-difluorobenzamide
CID 18421751
(2S)-N-(cyanomethyl)-3-cyclohexyl-2-(naphthalen-2-ylcarbamoylamino)propanamide
CID 23383129
N-[1-(cyanomethylamino)-3-cyclohexyl-1-oxopropan-2-yl]-2-methylsulfanylbenzamide
CID 18421708
[1-(cyanomethylamino)-3-cyclohexyl-1-oxopropan-2-yl] N-tert-butylcarbamate
CID 57451908
N-[(1R)-1-cyclopentylethyl]-2-ethoxyacetamide
CID 81389829
tert-butyl N-[3-cyclohexyl-1-(ethylamino)-1-oxopropan-2-yl]carbamate
CID 68714876

Frequently Asked Questions

What is the IUPAC name of (2R)-N-(cyanomethyl)-3-cyclohexyl-2-[(2-ethoxyacetyl)amino]propanamide?
The IUPAC name of (2R)-N-(cyanomethyl)-3-cyclohexyl-2-[(2-ethoxyacetyl)amino]propanamide (CID 87848952) is (2R)-N-(cyanomethyl)-3-cyclohexyl-2-[(2-ethoxyacetyl)amino]propanamide.
What is the SMILES notation for (2R)-N-(cyanomethyl)-3-cyclohexyl-2-[(2-ethoxyacetyl)amino]propanamide?
The canonical SMILES for (2R)-N-(cyanomethyl)-3-cyclohexyl-2-[(2-ethoxyacetyl)amino]propanamide is CCOCC(=O)N[C@H](CC1CCCCC1)C(=O)NCC#N.
What is the InChIKey of (2R)-N-(cyanomethyl)-3-cyclohexyl-2-[(2-ethoxyacetyl)amino]propanamide?
The InChIKey is JNFJMKQZEKWKIT-CYBMUJFWSA-N. The full InChI is InChI=1S/C15H25N3O3/c1-2-21-11-14(19)18-13(15(20)17-9-8-16)10-12-6-4-3-5-7-12/h12-13H,2-7,9-11H2,1H3,(H,17,20)(H,18,19)/t13-/m1/s1.
What are the key properties of (2R)-N-(cyanomethyl)-3-cyclohexyl-2-[(2-ethoxyacetyl)amino]propanamide?
(2R)-N-(cyanomethyl)-3-cyclohexyl-2-[(2-ethoxyacetyl)amino]propanamide has a molecular weight of 295.38 g/mol, XLogP of 1.12, 8 rotatable bonds, 2 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for (2R)-N-(cyanomethyl)-3-cyclohexyl-2-[(2-ethoxyacetyl)amino]propanamide is sourced from PubChem (CID 87848952), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).