2-amino-N-(2-cyanopropyl)-N-ethyl-4-phenylbutanamide

C16H23N3O — CID 114926862

IUPAC2-amino-N-(2-cyanopropyl)-N-ethyl-4-phenylbutanamide
SMILESCCN(CC(C)C#N)C(=O)C(N)CCc1ccccc1
InChIInChI=1S/C16H23N3O/c1-3-19(12-13(2)11-17)16(20)15(18)10-9-14-7-5-4-6-8-14/h4-8,13,15H,3,9-10,12,18H2,1-2H3
InChIKeyKHGMOXZXSFUJCD-UHFFFAOYSA-N
MW273.38 g/mol
LogP1.95
Rot. Bonds7

About 2-amino-N-(2-cyanopropyl)-N-ethyl-4-phenylbutanamide

2-amino-N-(2-cyanopropyl)-N-ethyl-4-phenylbutanamide (PubChem CID 114926862) has the molecular formula C16H23N3O and a molecular weight of 273.38 g/mol. Its IUPAC name is 2-amino-N-(2-cyanopropyl)-N-ethyl-4-phenylbutanamide.

Molecular Properties

Compound Name2-amino-N-(2-cyanopropyl)-N-ethyl-4-phenylbutanamide
PubChem CID114926862
Molecular FormulaC16H23N3O
Molecular Weight273.38 g/mol
Exact Mass273.18
IUPAC Name2-amino-N-(2-cyanopropyl)-N-ethyl-4-phenylbutanamide
SMILESCCN(CC(C)C#N)C(=O)C(N)CCc1ccccc1
InChIInChI=1S/C16H23N3O/c1-3-19(12-13(2)11-17)16(20)15(18)10-9-14-7-5-4-6-8-14/h4-8,13,15H,3,9-10,12,18H2,1-2H3
InChIKeyKHGMOXZXSFUJCD-UHFFFAOYSA-N
XLogP1.95
TPSA70.12 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds7
Heavy Atoms20
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500273.38
LogP ≤ 51.95
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

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Related Compounds

(2S)-2-amino-N-ethyl-N-(2-ethylbutyl)-4-phenylbutanamide
CID 104983957
2-[[(2S)-2-amino-4-phenylbutanoyl]-ethylamino]acetic acid
CID 104984270
(2S)-2-amino-N-(2-cyanopropyl)-N-ethylhexanamide
CID 107144573
2-amino-N-(2-cyanoethyl)-N-(2-methylpropyl)-4-phenylbutanamide
CID 114926898
(2S)-2-amino-N-ethyl-N-(2-methylprop-2-enyl)-4-phenylbutanamide
CID 104983828
2-amino-N-[1-(dimethylamino)propan-2-yl]-N-ethyl-4-phenylbutanamide
CID 103188646
(2S)-2-amino-N-(cyclobutylmethyl)-N-ethyl-4-phenylbutanamide
CID 107398372
(2R)-N-[(2S)-2-cyanopropyl]-N-ethyl-2-methoxy-2-phenylacetamide
CID 94352405
(2S)-2-amino-N-ethyl-N-(2-methylpropyl)-3-phenylpropanamide
CID 55150348
2-amino-N-ethyl-N-(2-methylpropyl)-3-phenylpropanamide
CID 43273815
2-[(2-amino-4-phenylbutanoyl)-propylamino]acetic acid
CID 114927997
2-amino-N-methyl-4-phenyl-N-propan-2-ylbutanamide
CID 114924872

Frequently Asked Questions

What is the IUPAC name of 2-amino-N-(2-cyanopropyl)-N-ethyl-4-phenylbutanamide?
The IUPAC name of 2-amino-N-(2-cyanopropyl)-N-ethyl-4-phenylbutanamide (CID 114926862) is 2-amino-N-(2-cyanopropyl)-N-ethyl-4-phenylbutanamide.
What is the SMILES notation for 2-amino-N-(2-cyanopropyl)-N-ethyl-4-phenylbutanamide?
The canonical SMILES for 2-amino-N-(2-cyanopropyl)-N-ethyl-4-phenylbutanamide is CCN(CC(C)C#N)C(=O)C(N)CCc1ccccc1.
What is the InChIKey of 2-amino-N-(2-cyanopropyl)-N-ethyl-4-phenylbutanamide?
The InChIKey is KHGMOXZXSFUJCD-UHFFFAOYSA-N. The full InChI is InChI=1S/C16H23N3O/c1-3-19(12-13(2)11-17)16(20)15(18)10-9-14-7-5-4-6-8-14/h4-8,13,15H,3,9-10,12,18H2,1-2H3.
What are the key properties of 2-amino-N-(2-cyanopropyl)-N-ethyl-4-phenylbutanamide?
2-amino-N-(2-cyanopropyl)-N-ethyl-4-phenylbutanamide has a molecular weight of 273.38 g/mol, XLogP of 1.95, 7 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 2-amino-N-(2-cyanopropyl)-N-ethyl-4-phenylbutanamide is sourced from PubChem (CID 114926862), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).