N-[1-(3-acetamidophenyl)ethyl]-2-aminopentanamide

C15H23N3O2 — CID 60981763

IUPACN-[1-(3-acetamidophenyl)ethyl]-2-aminopentanamide
SMILESCCCC(N)C(=O)NC(C)c1cccc(NC(C)=O)c1
InChIInChI=1S/C15H23N3O2/c1-4-6-14(16)15(20)17-10(2)12-7-5-8-13(9-12)18-11(3)19/h5,7-10,14H,4,6,16H2,1-3H3,(H,17,20)(H,18,19)
InChIKeyZDGFLJWVVBHGOM-UHFFFAOYSA-N
MW277.37 g/mol
LogP1.95
Rot. Bonds6

About N-[1-(3-acetamidophenyl)ethyl]-2-aminopentanamide

N-[1-(3-acetamidophenyl)ethyl]-2-aminopentanamide (PubChem CID 60981763) has the molecular formula C15H23N3O2 and a molecular weight of 277.37 g/mol. Its IUPAC name is N-[1-(3-acetamidophenyl)ethyl]-2-aminopentanamide.

Molecular Properties

Compound NameN-[1-(3-acetamidophenyl)ethyl]-2-aminopentanamide
PubChem CID60981763
Molecular FormulaC15H23N3O2
Molecular Weight277.37 g/mol
Exact Mass277.18
IUPAC NameN-[1-(3-acetamidophenyl)ethyl]-2-aminopentanamide
SMILESCCCC(N)C(=O)NC(C)c1cccc(NC(C)=O)c1
InChIInChI=1S/C15H23N3O2/c1-4-6-14(16)15(20)17-10(2)12-7-5-8-13(9-12)18-11(3)19/h5,7-10,14H,4,6,16H2,1-3H3,(H,17,20)(H,18,19)
InChIKeyZDGFLJWVVBHGOM-UHFFFAOYSA-N
XLogP1.95
TPSA84.22 Ų
H-Bond Donors3
H-Bond Acceptors3
Rotatable Bonds6
Heavy Atoms20
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500277.37
LogP ≤ 51.95
H-Bond Donors ≤ 53
H-Bond Acceptors ≤ 103

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Related Compounds

(2S)-N-[1-(3-acetamidophenyl)ethyl]-2-aminobutanamide;hydrochloride
CID 119282390
N-[1-(3-acetamidophenyl)ethyl]-2-aminobutanediamide
CID 60980162
N-[1-(3-acetamidophenyl)ethyl]-2-aminopropanamide
CID 54880242
(2S)-2-amino-N-[(1R)-1-(3-chlorophenyl)ethyl]pentanamide
CID 93467019
2-amino-N-(3-propan-2-ylphenyl)pentanamide
CID 43650216
N-[1-(3-acetamidophenyl)ethyl]-3-(ethylamino)-2-methylpropanamide
CID 62851861
(2S)-2-amino-N-[1-[3-(difluoromethoxy)phenyl]ethyl]pentanamide
CID 107568388
N-[1-(3-acetamidophenyl)ethyl]-3-aminobutanamide
CID 54880253
(2R)-2-amino-N-[1-(3,4-dichlorophenyl)ethyl]pentanamide
CID 103794045
2-amino-N-[1-(3,4-dichlorophenyl)ethyl]pentanamide
CID 61249825
N-[1-(3-acetamidophenyl)ethyl]-2-(methylamino)propanamide
CID 62638247
N-[1-(3-acetamidophenyl)ethyl]-3-oxobutanamide
CID 54880254

Frequently Asked Questions

What is the IUPAC name of N-[1-(3-acetamidophenyl)ethyl]-2-aminopentanamide?
The IUPAC name of N-[1-(3-acetamidophenyl)ethyl]-2-aminopentanamide (CID 60981763) is N-[1-(3-acetamidophenyl)ethyl]-2-aminopentanamide.
What is the SMILES notation for N-[1-(3-acetamidophenyl)ethyl]-2-aminopentanamide?
The canonical SMILES for N-[1-(3-acetamidophenyl)ethyl]-2-aminopentanamide is CCCC(N)C(=O)NC(C)c1cccc(NC(C)=O)c1.
What is the InChIKey of N-[1-(3-acetamidophenyl)ethyl]-2-aminopentanamide?
The InChIKey is ZDGFLJWVVBHGOM-UHFFFAOYSA-N. The full InChI is InChI=1S/C15H23N3O2/c1-4-6-14(16)15(20)17-10(2)12-7-5-8-13(9-12)18-11(3)19/h5,7-10,14H,4,6,16H2,1-3H3,(H,17,20)(H,18,19).
What are the key properties of N-[1-(3-acetamidophenyl)ethyl]-2-aminopentanamide?
N-[1-(3-acetamidophenyl)ethyl]-2-aminopentanamide has a molecular weight of 277.37 g/mol, XLogP of 1.95, 6 rotatable bonds, 3 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for N-[1-(3-acetamidophenyl)ethyl]-2-aminopentanamide is sourced from PubChem (CID 60981763), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).