3-amino-N-[2-(dimethylamino)ethyl]-N-(2-methylpropyl)-2-phenylpropanamide

C17H29N3O — CID 62879070

IUPAC3-amino-N-[2-(dimethylamino)ethyl]-N-(2-methylpropyl)-2-phenylpropanamide
SMILESCC(C)CN(CCN(C)C)C(=O)C(CN)c1ccccc1
InChIInChI=1S/C17H29N3O/c1-14(2)13-20(11-10-19(3)4)17(21)16(12-18)15-8-6-5-7-9-15/h5-9,14,16H,10-13,18H2,1-4H3
InChIKeyNJCDVHFHLTZWJF-UHFFFAOYSA-N
MW291.44 g/mol
LogP1.78
Rot. Bonds8

About 3-amino-N-[2-(dimethylamino)ethyl]-N-(2-methylpropyl)-2-phenylpropanamide

3-amino-N-[2-(dimethylamino)ethyl]-N-(2-methylpropyl)-2-phenylpropanamide (PubChem CID 62879070) has the molecular formula C17H29N3O and a molecular weight of 291.44 g/mol. Its IUPAC name is 3-amino-N-[2-(dimethylamino)ethyl]-N-(2-methylpropyl)-2-phenylpropanamide.

Molecular Properties

Compound Name3-amino-N-[2-(dimethylamino)ethyl]-N-(2-methylpropyl)-2-phenylpropanamide
PubChem CID62879070
Molecular FormulaC17H29N3O
Molecular Weight291.44 g/mol
Exact Mass291.23
IUPAC Name3-amino-N-[2-(dimethylamino)ethyl]-N-(2-methylpropyl)-2-phenylpropanamide
SMILESCC(C)CN(CCN(C)C)C(=O)C(CN)c1ccccc1
InChIInChI=1S/C17H29N3O/c1-14(2)13-20(11-10-19(3)4)17(21)16(12-18)15-8-6-5-7-9-15/h5-9,14,16H,10-13,18H2,1-4H3
InChIKeyNJCDVHFHLTZWJF-UHFFFAOYSA-N
XLogP1.78
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 ≤ 51.78
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

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Related Compounds

3-amino-N,N-diethyl-2-phenylpropanamide
CID 62876932
3-[2-(dimethylamino)ethyl-(2-methylpropyl)amino]-2-phenylpropanoic acid
CID 63068325
(2S)-3-amino-N,N-dimethyl-2-phenylpropanamide
CID 94888711
N,N-bis(2-methylpropyl)-2-phenylbutanamide
CID 4080662
3-amino-N-butan-2-yl-N-methyl-2-phenylpropanamide
CID 62879219
1-[2-(dimethylamino)ethyl]-3-[2-(dimethylamino)-2-phenylethyl]-1-(2-methylpropyl)urea
CID 86999370
3-amino-N-(2-amino-2-oxoethyl)-N-methyl-2-phenylpropanamide
CID 62877301
3-amino-N-butyl-N-(2-hydroxyethyl)-2-phenylpropanamide
CID 62878005
(2S)-2-amino-N,N-bis(2-methylpropyl)-2-phenylacetamide
CID 104897188
N-(2-methoxyethyl)-N-(2-methylpropyl)-2-phenylpentanamide
CID 78853977
3-amino-N-benzyl-N-methyl-2-phenylpropanamide
CID 62878331
3-amino-N-(2-amino-2-oxoethyl)-2-phenyl-N-propan-2-ylpropanamide
CID 62877996

Frequently Asked Questions

What is the IUPAC name of 3-amino-N-[2-(dimethylamino)ethyl]-N-(2-methylpropyl)-2-phenylpropanamide?
The IUPAC name of 3-amino-N-[2-(dimethylamino)ethyl]-N-(2-methylpropyl)-2-phenylpropanamide (CID 62879070) is 3-amino-N-[2-(dimethylamino)ethyl]-N-(2-methylpropyl)-2-phenylpropanamide.
What is the SMILES notation for 3-amino-N-[2-(dimethylamino)ethyl]-N-(2-methylpropyl)-2-phenylpropanamide?
The canonical SMILES for 3-amino-N-[2-(dimethylamino)ethyl]-N-(2-methylpropyl)-2-phenylpropanamide is CC(C)CN(CCN(C)C)C(=O)C(CN)c1ccccc1.
What is the InChIKey of 3-amino-N-[2-(dimethylamino)ethyl]-N-(2-methylpropyl)-2-phenylpropanamide?
The InChIKey is NJCDVHFHLTZWJF-UHFFFAOYSA-N. The full InChI is InChI=1S/C17H29N3O/c1-14(2)13-20(11-10-19(3)4)17(21)16(12-18)15-8-6-5-7-9-15/h5-9,14,16H,10-13,18H2,1-4H3.
What are the key properties of 3-amino-N-[2-(dimethylamino)ethyl]-N-(2-methylpropyl)-2-phenylpropanamide?
3-amino-N-[2-(dimethylamino)ethyl]-N-(2-methylpropyl)-2-phenylpropanamide has a molecular weight of 291.44 g/mol, XLogP of 1.78, 8 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 3-amino-N-[2-(dimethylamino)ethyl]-N-(2-methylpropyl)-2-phenylpropanamide is sourced from PubChem (CID 62879070), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).