4-amino-N,N-diethyl-3-[methyl(2-phenylethyl)amino]butanamide

C17H29N3O — CID 66432918

IUPAC4-amino-N,N-diethyl-3-[methyl(2-phenylethyl)amino]butanamide
SMILESCCN(CC)C(=O)CC(CN)N(C)CCc1ccccc1
InChIInChI=1S/C17H29N3O/c1-4-20(5-2)17(21)13-16(14-18)19(3)12-11-15-9-7-6-8-10-15/h6-10,16H,4-5,11-14,18H2,1-3H3
InChIKeyUZLRSQSIIQLLEY-UHFFFAOYSA-N
MW291.44 g/mol
LogP1.75
Rot. Bonds9

About 4-amino-N,N-diethyl-3-[methyl(2-phenylethyl)amino]butanamide

4-amino-N,N-diethyl-3-[methyl(2-phenylethyl)amino]butanamide (PubChem CID 66432918) has the molecular formula C17H29N3O and a molecular weight of 291.44 g/mol. Its IUPAC name is 4-amino-N,N-diethyl-3-[methyl(2-phenylethyl)amino]butanamide.

Molecular Properties

Compound Name4-amino-N,N-diethyl-3-[methyl(2-phenylethyl)amino]butanamide
PubChem CID66432918
Molecular FormulaC17H29N3O
Molecular Weight291.44 g/mol
Exact Mass291.23
IUPAC Name4-amino-N,N-diethyl-3-[methyl(2-phenylethyl)amino]butanamide
SMILESCCN(CC)C(=O)CC(CN)N(C)CCc1ccccc1
InChIInChI=1S/C17H29N3O/c1-4-20(5-2)17(21)13-16(14-18)19(3)12-11-15-9-7-6-8-10-15/h6-10,16H,4-5,11-14,18H2,1-3H3
InChIKeyUZLRSQSIIQLLEY-UHFFFAOYSA-N
XLogP1.75
TPSA49.57 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds9
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

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Related Compounds

4-amino-N-ethyl-3-methoxy-N-(2-phenylethyl)butanamide;hydrochloride
CID 120589443
2-N-methyl-3-phenyl-2-N-(2-phenylethyl)propane-1,2-diamine
CID 65483135
4-amino-N,N-diethyl-3-[methyl(thiophen-2-ylmethyl)amino]butanamide
CID 66432298
2-[2-aminoethyl(2-phenylethyl)amino]-N,N-diethylacetamide;hydrochloride
CID 120871888
4-amino-3-[2,2-dimethylpropyl(methyl)amino]-N,N-diethylbutanamide
CID 66432910
2-[methyl(2-phenylethyl)amino]propanamide
CID 47280413
2-bromo-N-ethyl-N-(2-phenylethyl)acetamide
CID 15342542
3-[acetyl(2-phenylethyl)amino]-N,N-diethylpropanamide
CID 113120794
4-amino-N-benzyl-3-methoxy-N-(2-phenylethyl)butanamide;hydrochloride
CID 120586577
N-(2-aminoethyl)-N-(2-phenylethyl)propanamide
CID 120884412
3-amino-N-benzyl-N-(2-phenylethyl)butanamide
CID 119675960
N-(1-aminopropan-2-yl)-N-methyl-4-phenylbutanamide
CID 112701398

Frequently Asked Questions

What is the IUPAC name of 4-amino-N,N-diethyl-3-[methyl(2-phenylethyl)amino]butanamide?
The IUPAC name of 4-amino-N,N-diethyl-3-[methyl(2-phenylethyl)amino]butanamide (CID 66432918) is 4-amino-N,N-diethyl-3-[methyl(2-phenylethyl)amino]butanamide.
What is the SMILES notation for 4-amino-N,N-diethyl-3-[methyl(2-phenylethyl)amino]butanamide?
The canonical SMILES for 4-amino-N,N-diethyl-3-[methyl(2-phenylethyl)amino]butanamide is CCN(CC)C(=O)CC(CN)N(C)CCc1ccccc1.
What is the InChIKey of 4-amino-N,N-diethyl-3-[methyl(2-phenylethyl)amino]butanamide?
The InChIKey is UZLRSQSIIQLLEY-UHFFFAOYSA-N. The full InChI is InChI=1S/C17H29N3O/c1-4-20(5-2)17(21)13-16(14-18)19(3)12-11-15-9-7-6-8-10-15/h6-10,16H,4-5,11-14,18H2,1-3H3.
What are the key properties of 4-amino-N,N-diethyl-3-[methyl(2-phenylethyl)amino]butanamide?
4-amino-N,N-diethyl-3-[methyl(2-phenylethyl)amino]butanamide has a molecular weight of 291.44 g/mol, XLogP of 1.75, 9 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 4-amino-N,N-diethyl-3-[methyl(2-phenylethyl)amino]butanamide is sourced from PubChem (CID 66432918), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).