N-[2-[acetyl(propyl)amino]ethyl]-3-phenylpropanamide

C16H24N2O2 — CID 113051865

IUPACN-[2-[acetyl(propyl)amino]ethyl]-3-phenylpropanamide
SMILESCCCN(CCNC(=O)CCc1ccccc1)C(C)=O
InChIInChI=1S/C16H24N2O2/c1-3-12-18(14(2)19)13-11-17-16(20)10-9-15-7-5-4-6-8-15/h4-8H,3,9-13H2,1-2H3,(H,17,20)
InChIKeySIGRDPWYLNGGPD-UHFFFAOYSA-N
MW276.38 g/mol
LogP1.99
Rot. Bonds8

About N-[2-[acetyl(propyl)amino]ethyl]-3-phenylpropanamide

N-[2-[acetyl(propyl)amino]ethyl]-3-phenylpropanamide (PubChem CID 113051865) has the molecular formula C16H24N2O2 and a molecular weight of 276.38 g/mol. Its IUPAC name is N-[2-[acetyl(propyl)amino]ethyl]-3-phenylpropanamide.

Molecular Properties

Compound NameN-[2-[acetyl(propyl)amino]ethyl]-3-phenylpropanamide
PubChem CID113051865
Molecular FormulaC16H24N2O2
Molecular Weight276.38 g/mol
Exact Mass276.18
IUPAC NameN-[2-[acetyl(propyl)amino]ethyl]-3-phenylpropanamide
SMILESCCCN(CCNC(=O)CCc1ccccc1)C(C)=O
InChIInChI=1S/C16H24N2O2/c1-3-12-18(14(2)19)13-11-17-16(20)10-9-15-7-5-4-6-8-15/h4-8H,3,9-13H2,1-2H3,(H,17,20)
InChIKeySIGRDPWYLNGGPD-UHFFFAOYSA-N
XLogP1.99
TPSA49.41 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds8
Heavy Atoms20
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500276.38
LogP ≤ 51.99
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 102

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Related Compounds

N-[2-[acetyl(2-methylpropyl)amino]ethyl]-3-phenylpropanamide
CID 113052541
3-[acetyl(2-phenylethyl)amino]-N-propylpropanamide
CID 113120727
N-[2-[acetyl-[(2-methylphenyl)methyl]amino]ethyl]-3-phenylpropanamide
CID 113054142
N-[2-(3-phenylpropanoylamino)ethyl]butanamide
CID 108573772
N-[2-(2-phenylethylsulfonylamino)ethyl]-N-propylacetamide
CID 113051944
N-[2-[acetyl-[2-(4-fluorophenyl)ethyl]amino]ethyl]butanamide
CID 113055720
N-[2-[acetyl(1,3-benzodioxol-5-ylmethyl)amino]ethyl]-3-phenylpropanamide
CID 113055114
3-[acetyl(3-methylbutyl)amino]-N-(2-phenylethyl)propanamide
CID 113122843
N-[2-[acetyl(propyl)amino]ethyl]-2-(4-methylphenyl)acetamide
CID 113051892
ethyl N-[2-[acetyl(2-phenylethyl)amino]ethyl]carbamate
CID 113055587
N'-[2-(diethylamino)ethyl]-N-(2-phenylethyl)butanediamide
CID 51362720
N-[2-[4-(dimethylamino)phenyl]ethyl]-3-phenylpropanamide
CID 16889411

Frequently Asked Questions

What is the IUPAC name of N-[2-[acetyl(propyl)amino]ethyl]-3-phenylpropanamide?
The IUPAC name of N-[2-[acetyl(propyl)amino]ethyl]-3-phenylpropanamide (CID 113051865) is N-[2-[acetyl(propyl)amino]ethyl]-3-phenylpropanamide.
What is the SMILES notation for N-[2-[acetyl(propyl)amino]ethyl]-3-phenylpropanamide?
The canonical SMILES for N-[2-[acetyl(propyl)amino]ethyl]-3-phenylpropanamide is CCCN(CCNC(=O)CCc1ccccc1)C(C)=O.
What is the InChIKey of N-[2-[acetyl(propyl)amino]ethyl]-3-phenylpropanamide?
The InChIKey is SIGRDPWYLNGGPD-UHFFFAOYSA-N. The full InChI is InChI=1S/C16H24N2O2/c1-3-12-18(14(2)19)13-11-17-16(20)10-9-15-7-5-4-6-8-15/h4-8H,3,9-13H2,1-2H3,(H,17,20).
What are the key properties of N-[2-[acetyl(propyl)amino]ethyl]-3-phenylpropanamide?
N-[2-[acetyl(propyl)amino]ethyl]-3-phenylpropanamide has a molecular weight of 276.38 g/mol, XLogP of 1.99, 8 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for N-[2-[acetyl(propyl)amino]ethyl]-3-phenylpropanamide is sourced from PubChem (CID 113051865), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).