N-[3-[[2-(prop-2-ynylamino)acetyl]amino]phenyl]propanamide

C14H17N3O2 — CID 79287328

IUPACN-[3-[[2-(prop-2-ynylamino)acetyl]amino]phenyl]propanamide
SMILESC#CCNCC(=O)Nc1cccc(NC(=O)CC)c1
InChIInChI=1S/C14H17N3O2/c1-3-8-15-10-14(19)17-12-7-5-6-11(9-12)16-13(18)4-2/h1,5-7,9,15H,4,8,10H2,2H3,(H,16,18)(H,17,19)
InChIKeyAWWRTTMPOBNAFV-UHFFFAOYSA-N
MW259.31 g/mol
LogP1.20
Rot. Bonds6

About N-[3-[[2-(prop-2-ynylamino)acetyl]amino]phenyl]propanamide

N-[3-[[2-(prop-2-ynylamino)acetyl]amino]phenyl]propanamide (PubChem CID 79287328) has the molecular formula C14H17N3O2 and a molecular weight of 259.31 g/mol. Its IUPAC name is N-[3-[[2-(prop-2-ynylamino)acetyl]amino]phenyl]propanamide.

Molecular Properties

Compound NameN-[3-[[2-(prop-2-ynylamino)acetyl]amino]phenyl]propanamide
PubChem CID79287328
Molecular FormulaC14H17N3O2
Molecular Weight259.31 g/mol
Exact Mass259.13
IUPAC NameN-[3-[[2-(prop-2-ynylamino)acetyl]amino]phenyl]propanamide
SMILESC#CCNCC(=O)Nc1cccc(NC(=O)CC)c1
InChIInChI=1S/C14H17N3O2/c1-3-8-15-10-14(19)17-12-7-5-6-11(9-12)16-13(18)4-2/h1,5-7,9,15H,4,8,10H2,2H3,(H,16,18)(H,17,19)
InChIKeyAWWRTTMPOBNAFV-UHFFFAOYSA-N
XLogP1.20
TPSA70.23 Ų
H-Bond Donors3
H-Bond Acceptors3
Rotatable Bonds6
Heavy Atoms19
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500259.31
LogP ≤ 51.20
H-Bond Donors ≤ 53
H-Bond Acceptors ≤ 103

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'Aliphatic_long_chain', 'substructure': 'N/A'}, {'alert_name': 'triple_bond', 'substructure': 'N/A'}

Analyze N-[3-[[2-(prop-2-ynylamino)acetyl]amino]phenyl]propanamide with MolForge

Explore ADMET properties, 3D molecular structure, drug-likeness score, and discover similar compounds using our AI-powered platform.

Launch Full Analysis

Related Compounds

N-[3-(dimethylamino)phenyl]-2-(prop-2-ynylamino)acetamide
CID 113297619
N-ethyl-3-[[2-(prop-2-ynylamino)acetyl]amino]benzamide
CID 78912963
N-[4-chloro-3-[[2-(prop-2-ynylamino)acetyl]amino]phenyl]propanamide
CID 79287636
methyl 3-[[2-(prop-2-ynylamino)acetyl]amino]benzoate
CID 71627760
N,N-diethyl-3-[[2-(prop-2-ynylamino)acetyl]amino]benzamide
CID 78913226
N-(4-acetamidophenyl)-2-(prop-2-ynylamino)acetamide
CID 78908561
N-[3-[[2-(3,5-dimethylanilino)acetyl]amino]phenyl]propanamide
CID 54813237
N-[3-[[2-(4-methylanilino)acetyl]amino]phenyl]propanamide
CID 54814253
N-(3-fluoro-4-hydroxyphenyl)-2-(prop-2-ynylamino)acetamide
CID 79271448
N-(4-fluorophenyl)-2-(prop-2-ynylamino)acetamide
CID 28563124
N-[3-(imidazol-1-ylmethyl)phenyl]-2-(prop-2-ynylamino)acetamide
CID 79287273
N,N'-bis[3-(propanoylamino)phenyl]nonanediamide
CID 17188809

Frequently Asked Questions

What is the IUPAC name of N-[3-[[2-(prop-2-ynylamino)acetyl]amino]phenyl]propanamide?
The IUPAC name of N-[3-[[2-(prop-2-ynylamino)acetyl]amino]phenyl]propanamide (CID 79287328) is N-[3-[[2-(prop-2-ynylamino)acetyl]amino]phenyl]propanamide.
What is the SMILES notation for N-[3-[[2-(prop-2-ynylamino)acetyl]amino]phenyl]propanamide?
The canonical SMILES for N-[3-[[2-(prop-2-ynylamino)acetyl]amino]phenyl]propanamide is C#CCNCC(=O)Nc1cccc(NC(=O)CC)c1.
What is the InChIKey of N-[3-[[2-(prop-2-ynylamino)acetyl]amino]phenyl]propanamide?
The InChIKey is AWWRTTMPOBNAFV-UHFFFAOYSA-N. The full InChI is InChI=1S/C14H17N3O2/c1-3-8-15-10-14(19)17-12-7-5-6-11(9-12)16-13(18)4-2/h1,5-7,9,15H,4,8,10H2,2H3,(H,16,18)(H,17,19).
What are the key properties of N-[3-[[2-(prop-2-ynylamino)acetyl]amino]phenyl]propanamide?
N-[3-[[2-(prop-2-ynylamino)acetyl]amino]phenyl]propanamide has a molecular weight of 259.31 g/mol, XLogP of 1.20, 6 rotatable bonds, 3 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for N-[3-[[2-(prop-2-ynylamino)acetyl]amino]phenyl]propanamide is sourced from PubChem (CID 79287328), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).