2-amino-N-[2-[3-(3-cyanopropoxy)anilino]-2-oxoethyl]acetamide

C14H18N4O3 — CID 60928110

IUPAC2-amino-N-[2-[3-(3-cyanopropoxy)anilino]-2-oxoethyl]acetamide
SMILESN#CCCCOc1cccc(NC(=O)CNC(=O)CN)c1
InChIInChI=1S/C14H18N4O3/c15-6-1-2-7-21-12-5-3-4-11(8-12)18-14(20)10-17-13(19)9-16/h3-5,8H,1-2,7,9-10,16H2,(H,17,19)(H,18,20)
InChIKeyIOWZFLLTXFAEDO-UHFFFAOYSA-N
MW290.32 g/mol
LogP0.38
Rot. Bonds8

About 2-amino-N-[2-[3-(3-cyanopropoxy)anilino]-2-oxoethyl]acetamide

2-amino-N-[2-[3-(3-cyanopropoxy)anilino]-2-oxoethyl]acetamide (PubChem CID 60928110) has the molecular formula C14H18N4O3 and a molecular weight of 290.32 g/mol. Its IUPAC name is 2-amino-N-[2-[3-(3-cyanopropoxy)anilino]-2-oxoethyl]acetamide.

Molecular Properties

Compound Name2-amino-N-[2-[3-(3-cyanopropoxy)anilino]-2-oxoethyl]acetamide
PubChem CID60928110
Molecular FormulaC14H18N4O3
Molecular Weight290.32 g/mol
Exact Mass290.14
IUPAC Name2-amino-N-[2-[3-(3-cyanopropoxy)anilino]-2-oxoethyl]acetamide
SMILESN#CCCCOc1cccc(NC(=O)CNC(=O)CN)c1
InChIInChI=1S/C14H18N4O3/c15-6-1-2-7-21-12-5-3-4-11(8-12)18-14(20)10-17-13(19)9-16/h3-5,8H,1-2,7,9-10,16H2,(H,17,19)(H,18,20)
InChIKeyIOWZFLLTXFAEDO-UHFFFAOYSA-N
XLogP0.38
TPSA117.24 Ų
H-Bond Donors3
H-Bond Acceptors5
Rotatable Bonds8
Heavy Atoms21
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500290.32
LogP ≤ 50.38
H-Bond Donors ≤ 53
H-Bond Acceptors ≤ 105

Computed Properties (RDKit)

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

Analyze 2-amino-N-[2-[3-(3-cyanopropoxy)anilino]-2-oxoethyl]acetamide 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

4-[3-(3-cyanopropoxy)anilino]-4-oxobutanoic acid
CID 60933599
3-amino-N-[3-(3-cyanopropoxy)phenyl]-2-methylpropanamide
CID 62670693
4-(3-bromophenoxy)-N-[3-(3-cyanopropoxy)phenyl]butanamide
CID 55878833
N-[3-(3-cyanopropoxy)phenyl]-3-(propan-2-ylamino)propanamide
CID 60927655
2-amino-N-[3-(3-cyanopropoxy)phenyl]-3-methylbutanamide
CID 60927001
N-[2-[3-(3-cyanopropoxy)anilino]-2-oxoethyl]-N-methylbenzamide
CID 55879730
2,2,2-trifluoroethyl N-[3-(3-cyanopropoxy)phenyl]carbamate
CID 65173271
2-amino-N-[3-(2-fluoroethoxy)phenyl]acetamide;hydrochloride
CID 119337987
N-[3-(3-cyanopropoxy)phenyl]-2-methyl-2-(methylamino)propanamide
CID 62847252
2-amino-N-[3-(3-cyanopropoxy)phenyl]hexanamide
CID 60927656
(E)-N-[3-(3-cyanopropoxy)phenyl]-3-(4-methylphenyl)prop-2-enamide
CID 60532657
2-amino-N-[3-(3-cyanopropoxy)phenyl]cyclopentane-1-carboxamide
CID 64822399

Frequently Asked Questions

What is the IUPAC name of 2-amino-N-[2-[3-(3-cyanopropoxy)anilino]-2-oxoethyl]acetamide?
The IUPAC name of 2-amino-N-[2-[3-(3-cyanopropoxy)anilino]-2-oxoethyl]acetamide (CID 60928110) is 2-amino-N-[2-[3-(3-cyanopropoxy)anilino]-2-oxoethyl]acetamide.
What is the SMILES notation for 2-amino-N-[2-[3-(3-cyanopropoxy)anilino]-2-oxoethyl]acetamide?
The canonical SMILES for 2-amino-N-[2-[3-(3-cyanopropoxy)anilino]-2-oxoethyl]acetamide is N#CCCCOc1cccc(NC(=O)CNC(=O)CN)c1.
What is the InChIKey of 2-amino-N-[2-[3-(3-cyanopropoxy)anilino]-2-oxoethyl]acetamide?
The InChIKey is IOWZFLLTXFAEDO-UHFFFAOYSA-N. The full InChI is InChI=1S/C14H18N4O3/c15-6-1-2-7-21-12-5-3-4-11(8-12)18-14(20)10-17-13(19)9-16/h3-5,8H,1-2,7,9-10,16H2,(H,17,19)(H,18,20).
What are the key properties of 2-amino-N-[2-[3-(3-cyanopropoxy)anilino]-2-oxoethyl]acetamide?
2-amino-N-[2-[3-(3-cyanopropoxy)anilino]-2-oxoethyl]acetamide has a molecular weight of 290.32 g/mol, XLogP of 0.38, 8 rotatable bonds, 3 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 2-amino-N-[2-[3-(3-cyanopropoxy)anilino]-2-oxoethyl]acetamide is sourced from PubChem (CID 60928110), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).