N-[[4-(3-aminoprop-1-ynyl)phenyl]methyl]-2-cyclopropyl-N-methylpropanamide

C17H22N2O — CID 83149693

IUPACN-[[4-(3-aminoprop-1-ynyl)phenyl]methyl]-2-cyclopropyl-N-methylpropanamide
SMILESCC(C(=O)N(C)Cc1ccc(C#CCN)cc1)C1CC1
InChIInChI=1S/C17H22N2O/c1-13(16-9-10-16)17(20)19(2)12-15-7-5-14(6-8-15)4-3-11-18/h5-8,13,16H,9-12,18H2,1-2H3
InChIKeyICDSWKLMELAATF-UHFFFAOYSA-N
MW270.38 g/mol
LogP2.00
Rot. Bonds4

About N-[[4-(3-aminoprop-1-ynyl)phenyl]methyl]-2-cyclopropyl-N-methylpropanamide

N-[[4-(3-aminoprop-1-ynyl)phenyl]methyl]-2-cyclopropyl-N-methylpropanamide (PubChem CID 83149693) has the molecular formula C17H22N2O and a molecular weight of 270.38 g/mol. Its IUPAC name is N-[[4-(3-aminoprop-1-ynyl)phenyl]methyl]-2-cyclopropyl-N-methylpropanamide.

Molecular Properties

Compound NameN-[[4-(3-aminoprop-1-ynyl)phenyl]methyl]-2-cyclopropyl-N-methylpropanamide
PubChem CID83149693
Molecular FormulaC17H22N2O
Molecular Weight270.38 g/mol
Exact Mass270.17
IUPAC NameN-[[4-(3-aminoprop-1-ynyl)phenyl]methyl]-2-cyclopropyl-N-methylpropanamide
SMILESCC(C(=O)N(C)Cc1ccc(C#CCN)cc1)C1CC1
InChIInChI=1S/C17H22N2O/c1-13(16-9-10-16)17(20)19(2)12-15-7-5-14(6-8-15)4-3-11-18/h5-8,13,16H,9-12,18H2,1-2H3
InChIKeyICDSWKLMELAATF-UHFFFAOYSA-N
XLogP2.00
TPSA46.33 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds4
Heavy Atoms20
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500270.38
LogP ≤ 52.00
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 102

Computed Properties (RDKit)

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

Analyze N-[[4-(3-aminoprop-1-ynyl)phenyl]methyl]-2-cyclopropyl-N-methylpropanamide 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

2-cyclopropyl-N-[(4-hydroxyphenyl)methyl]-N-methylpropanamide
CID 79506391
1-[[4-(3-aminoprop-1-ynyl)phenyl]methyl]-1,3,3-trimethylurea
CID 79154097
N-[[4-(3-aminoprop-1-ynyl)phenyl]methyl]-N-methylpyrrolidine-1-carboxamide
CID 79161452
3-[4-[[methyl(2-propan-2-yloxyethyl)amino]methyl]phenyl]prop-2-yn-1-amine
CID 81061798
N-[[4-(3-aminoprop-1-ynyl)phenyl]methyl]-N,2-dimethyloxolan-3-amine
CID 82748838
N-[[4-(aminomethyl)phenyl]methyl]-N,2-dimethylpropanamide
CID 60921311
4-(3-aminoprop-1-ynyl)-N-(1-cyclopropylpropan-2-yl)benzamide
CID 63996773
1-[[4-(3-hydroxyprop-1-ynyl)phenyl]methyl]-1,3,3-trimethylurea
CID 79153083
4-(3-aminoprop-1-ynyl)-N-(1-cyclohexylethyl)benzamide
CID 62406547
3-amino-N-[(4-cyanophenyl)methyl]-2-methoxy-N-methylpropanamide
CID 106112028
(E)-3-[5-[[2-cyclopropylpropanoyl(methyl)amino]methyl]thiophen-3-yl]prop-2-enoic acid
CID 83147869
N-[[4-(3-aminoprop-1-ynyl)thiophen-2-yl]methyl]-N,2-dimethylbutanamide
CID 54984704

Frequently Asked Questions

What is the IUPAC name of N-[[4-(3-aminoprop-1-ynyl)phenyl]methyl]-2-cyclopropyl-N-methylpropanamide?
The IUPAC name of N-[[4-(3-aminoprop-1-ynyl)phenyl]methyl]-2-cyclopropyl-N-methylpropanamide (CID 83149693) is N-[[4-(3-aminoprop-1-ynyl)phenyl]methyl]-2-cyclopropyl-N-methylpropanamide.
What is the SMILES notation for N-[[4-(3-aminoprop-1-ynyl)phenyl]methyl]-2-cyclopropyl-N-methylpropanamide?
The canonical SMILES for N-[[4-(3-aminoprop-1-ynyl)phenyl]methyl]-2-cyclopropyl-N-methylpropanamide is CC(C(=O)N(C)Cc1ccc(C#CCN)cc1)C1CC1.
What is the InChIKey of N-[[4-(3-aminoprop-1-ynyl)phenyl]methyl]-2-cyclopropyl-N-methylpropanamide?
The InChIKey is ICDSWKLMELAATF-UHFFFAOYSA-N. The full InChI is InChI=1S/C17H22N2O/c1-13(16-9-10-16)17(20)19(2)12-15-7-5-14(6-8-15)4-3-11-18/h5-8,13,16H,9-12,18H2,1-2H3.
What are the key properties of N-[[4-(3-aminoprop-1-ynyl)phenyl]methyl]-2-cyclopropyl-N-methylpropanamide?
N-[[4-(3-aminoprop-1-ynyl)phenyl]methyl]-2-cyclopropyl-N-methylpropanamide has a molecular weight of 270.38 g/mol, XLogP of 2.00, 4 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for N-[[4-(3-aminoprop-1-ynyl)phenyl]methyl]-2-cyclopropyl-N-methylpropanamide is sourced from PubChem (CID 83149693), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).