2-amino-N-[1-(dimethylamino)propan-2-yl]-N-ethyl-4-phenylbutanamide

C17H29N3O — CID 103188646

IUPAC2-amino-N-[1-(dimethylamino)propan-2-yl]-N-ethyl-4-phenylbutanamide
SMILESCCN(C(=O)C(N)CCc1ccccc1)C(C)CN(C)C
InChIInChI=1S/C17H29N3O/c1-5-20(14(2)13-19(3)4)17(21)16(18)12-11-15-9-7-6-8-10-15/h6-10,14,16H,5,11-13,18H2,1-4H3
InChIKeyUMSYGPBTIJHDKC-UHFFFAOYSA-N
MW291.44 g/mol
LogP1.75
Rot. Bonds8

About 2-amino-N-[1-(dimethylamino)propan-2-yl]-N-ethyl-4-phenylbutanamide

2-amino-N-[1-(dimethylamino)propan-2-yl]-N-ethyl-4-phenylbutanamide (PubChem CID 103188646) has the molecular formula C17H29N3O and a molecular weight of 291.44 g/mol. Its IUPAC name is 2-amino-N-[1-(dimethylamino)propan-2-yl]-N-ethyl-4-phenylbutanamide.

Molecular Properties

Compound Name2-amino-N-[1-(dimethylamino)propan-2-yl]-N-ethyl-4-phenylbutanamide
PubChem CID103188646
Molecular FormulaC17H29N3O
Molecular Weight291.44 g/mol
Exact Mass291.23
IUPAC Name2-amino-N-[1-(dimethylamino)propan-2-yl]-N-ethyl-4-phenylbutanamide
SMILESCCN(C(=O)C(N)CCc1ccccc1)C(C)CN(C)C
InChIInChI=1S/C17H29N3O/c1-5-20(14(2)13-19(3)4)17(21)16(18)12-11-15-9-7-6-8-10-15/h6-10,14,16H,5,11-13,18H2,1-4H3
InChIKeyUMSYGPBTIJHDKC-UHFFFAOYSA-N
XLogP1.75
TPSA49.57 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds8
Heavy Atoms21
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500291.44
LogP ≤ 51.75
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

Analyze 2-amino-N-[1-(dimethylamino)propan-2-yl]-N-ethyl-4-phenylbutanamide 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

(2S)-2-amino-4-phenyl-N-propan-2-yl-N-propylbutanamide
CID 104983873
2-amino-N-methyl-4-phenyl-N-propan-2-ylbutanamide
CID 114924872
(2S)-2-amino-N-(2-hydroxyethyl)-4-phenyl-N-propan-2-ylbutanamide
CID 104983951
2-amino-N-pentyl-4-phenyl-N-propan-2-ylbutanamide
CID 114926657
(2S)-2-amino-N-ethyl-N-(2-ethylbutyl)-4-phenylbutanamide
CID 104983957
2-[[(2S)-2-amino-4-phenylbutanoyl]-ethylamino]acetic acid
CID 104984270
2-amino-N-(2-cyanopropyl)-N-ethyl-4-phenylbutanamide
CID 114926862
2-amino-N-butyl-N-methyl-4-phenylbutanamide
CID 114924840
(2S)-2-amino-N-ethyl-N-(2-methylprop-2-enyl)-4-phenylbutanamide
CID 104983828
(2S)-2-amino-N-cyclopropyl-N-(2-methylpropyl)-4-phenylbutanamide
CID 104984034
3-amino-5-phenylpentan-2-one;propane
CID 143988472
(2S)-2-amino-N-(2-ethoxyethyl)-N-methyl-4-phenylbutanamide
CID 104984632

Frequently Asked Questions

What is the IUPAC name of 2-amino-N-[1-(dimethylamino)propan-2-yl]-N-ethyl-4-phenylbutanamide?
The IUPAC name of 2-amino-N-[1-(dimethylamino)propan-2-yl]-N-ethyl-4-phenylbutanamide (CID 103188646) is 2-amino-N-[1-(dimethylamino)propan-2-yl]-N-ethyl-4-phenylbutanamide.
What is the SMILES notation for 2-amino-N-[1-(dimethylamino)propan-2-yl]-N-ethyl-4-phenylbutanamide?
The canonical SMILES for 2-amino-N-[1-(dimethylamino)propan-2-yl]-N-ethyl-4-phenylbutanamide is CCN(C(=O)C(N)CCc1ccccc1)C(C)CN(C)C.
What is the InChIKey of 2-amino-N-[1-(dimethylamino)propan-2-yl]-N-ethyl-4-phenylbutanamide?
The InChIKey is UMSYGPBTIJHDKC-UHFFFAOYSA-N. The full InChI is InChI=1S/C17H29N3O/c1-5-20(14(2)13-19(3)4)17(21)16(18)12-11-15-9-7-6-8-10-15/h6-10,14,16H,5,11-13,18H2,1-4H3.
What are the key properties of 2-amino-N-[1-(dimethylamino)propan-2-yl]-N-ethyl-4-phenylbutanamide?
2-amino-N-[1-(dimethylamino)propan-2-yl]-N-ethyl-4-phenylbutanamide has a molecular weight of 291.44 g/mol, XLogP of 1.75, 8 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 2-amino-N-[1-(dimethylamino)propan-2-yl]-N-ethyl-4-phenylbutanamide is sourced from PubChem (CID 103188646), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).