2-[(2-amino-1-phenylpropyl)-propylamino]-N-methylacetamide

C15H25N3O — CID 55017743

IUPAC2-[(2-amino-1-phenylpropyl)-propylamino]-N-methylacetamide
SMILESCCCN(CC(=O)NC)C(c1ccccc1)C(C)N
InChIInChI=1S/C15H25N3O/c1-4-10-18(11-14(19)17-3)15(12(2)16)13-8-6-5-7-9-13/h5-9,12,15H,4,10-11,16H2,1-3H3,(H,17,19)
InChIKeyQNDCZXNGXSKKIB-UHFFFAOYSA-N
MW263.38 g/mol
LogP1.53
Rot. Bonds7

About 2-[(2-amino-1-phenylpropyl)-propylamino]-N-methylacetamide

2-[(2-amino-1-phenylpropyl)-propylamino]-N-methylacetamide (PubChem CID 55017743) has the molecular formula C15H25N3O and a molecular weight of 263.38 g/mol. Its IUPAC name is 2-[(2-amino-1-phenylpropyl)-propylamino]-N-methylacetamide.

Molecular Properties

Compound Name2-[(2-amino-1-phenylpropyl)-propylamino]-N-methylacetamide
PubChem CID55017743
Molecular FormulaC15H25N3O
Molecular Weight263.38 g/mol
Exact Mass263.20
IUPAC Name2-[(2-amino-1-phenylpropyl)-propylamino]-N-methylacetamide
SMILESCCCN(CC(=O)NC)C(c1ccccc1)C(C)N
InChIInChI=1S/C15H25N3O/c1-4-10-18(11-14(19)17-3)15(12(2)16)13-8-6-5-7-9-13/h5-9,12,15H,4,10-11,16H2,1-3H3,(H,17,19)
InChIKeyQNDCZXNGXSKKIB-UHFFFAOYSA-N
XLogP1.53
TPSA58.36 Ų
H-Bond Donors2
H-Bond Acceptors3
Rotatable Bonds7
Heavy Atoms19
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500263.38
LogP ≤ 51.53
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 103

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Related Compounds

2-[(2-amino-1-phenylpropyl)-ethylamino]-N-methylacetamide
CID 55017596
1-phenyl-1-N,1-N-dipropylpropane-1,2-diamine
CID 55017641
2-[[2-amino-1-(2-chlorophenyl)propyl]-ethylamino]-N-methylacetamide
CID 55022365
2-[1-(4-aminophenyl)ethyl-propylamino]-N-methylacetamide
CID 54984241
2-[1-(3-hydroxyphenyl)ethyl-propylamino]-N-methylacetamide
CID 82985774
N-methyl-2-[(1-oxo-1-phenylbutan-2-yl)-propylamino]acetamide
CID 62035767
3-amino-N-ethyl-N-[2-(methylamino)-2-oxoethyl]-3-phenylpropanamide
CID 43579107
(1S,2R)-2-(dipropylamino)-1-phenylpropan-1-ol
CID 11118019
N'-ethyl-1,2-diphenyl-N'-propylethane-1,2-diamine
CID 43268684
2-[ethyl-[1-(2-hydroxyphenyl)ethyl]amino]-N-methylacetamide
CID 82982515
(2-amino-1-phenylpropyl)-carbamoylcarbamic acid
CID 175172899
N-(2-benzoylphenyl)-2-[[(1S)-1-phenylethyl]-propylamino]acetamide
CID 102142549

Frequently Asked Questions

What is the IUPAC name of 2-[(2-amino-1-phenylpropyl)-propylamino]-N-methylacetamide?
The IUPAC name of 2-[(2-amino-1-phenylpropyl)-propylamino]-N-methylacetamide (CID 55017743) is 2-[(2-amino-1-phenylpropyl)-propylamino]-N-methylacetamide.
What is the SMILES notation for 2-[(2-amino-1-phenylpropyl)-propylamino]-N-methylacetamide?
The canonical SMILES for 2-[(2-amino-1-phenylpropyl)-propylamino]-N-methylacetamide is CCCN(CC(=O)NC)C(c1ccccc1)C(C)N.
What is the InChIKey of 2-[(2-amino-1-phenylpropyl)-propylamino]-N-methylacetamide?
The InChIKey is QNDCZXNGXSKKIB-UHFFFAOYSA-N. The full InChI is InChI=1S/C15H25N3O/c1-4-10-18(11-14(19)17-3)15(12(2)16)13-8-6-5-7-9-13/h5-9,12,15H,4,10-11,16H2,1-3H3,(H,17,19).
What are the key properties of 2-[(2-amino-1-phenylpropyl)-propylamino]-N-methylacetamide?
2-[(2-amino-1-phenylpropyl)-propylamino]-N-methylacetamide has a molecular weight of 263.38 g/mol, XLogP of 1.53, 7 rotatable bonds, 2 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 2-[(2-amino-1-phenylpropyl)-propylamino]-N-methylacetamide is sourced from PubChem (CID 55017743), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).