2-(aminomethyl)-N-tert-butyl-3-(4-cyclopropylphenyl)propanamide

C17H26N2O — CID 79980056

IUPAC2-(aminomethyl)-N-tert-butyl-3-(4-cyclopropylphenyl)propanamide
SMILESCC(C)(C)NC(=O)C(CN)Cc1ccc(C2CC2)cc1
InChIInChI=1S/C17H26N2O/c1-17(2,3)19-16(20)15(11-18)10-12-4-6-13(7-5-12)14-8-9-14/h4-7,14-15H,8-11,18H2,1-3H3,(H,19,20)
InChIKeyROBDJMGIFNDUNY-UHFFFAOYSA-N
MW274.41 g/mol
LogP2.60
Rot. Bonds5

About 2-(aminomethyl)-N-tert-butyl-3-(4-cyclopropylphenyl)propanamide

2-(aminomethyl)-N-tert-butyl-3-(4-cyclopropylphenyl)propanamide (PubChem CID 79980056) has the molecular formula C17H26N2O and a molecular weight of 274.41 g/mol. Its IUPAC name is 2-(aminomethyl)-N-tert-butyl-3-(4-cyclopropylphenyl)propanamide.

Molecular Properties

Compound Name2-(aminomethyl)-N-tert-butyl-3-(4-cyclopropylphenyl)propanamide
PubChem CID79980056
Molecular FormulaC17H26N2O
Molecular Weight274.41 g/mol
Exact Mass274.20
IUPAC Name2-(aminomethyl)-N-tert-butyl-3-(4-cyclopropylphenyl)propanamide
SMILESCC(C)(C)NC(=O)C(CN)Cc1ccc(C2CC2)cc1
InChIInChI=1S/C17H26N2O/c1-17(2,3)19-16(20)15(11-18)10-12-4-6-13(7-5-12)14-8-9-14/h4-7,14-15H,8-11,18H2,1-3H3,(H,19,20)
InChIKeyROBDJMGIFNDUNY-UHFFFAOYSA-N
XLogP2.60
TPSA55.12 Ų
H-Bond Donors2
H-Bond Acceptors2
Rotatable Bonds5
Heavy Atoms20
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500274.41
LogP ≤ 52.60
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 102

Analyze 2-(aminomethyl)-N-tert-butyl-3-(4-cyclopropylphenyl)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-(cyanomethyl)-4-methyl-2-(4-phenylphenyl)pentanamide
CID 18628679
alpha-Phenyl-2-piperidineacetamide
CID 86862
2-(Aminomethyl)-N-ethyl-1-phenylcyclopropane-1-carboxamide
CID 13718739
N-(4-hydroxyphenylpropanyl)-spermine
CID 46886661
(alphaR,2R)-alpha-Phenyl-2-piperidineacetamide
CID 11085277
N-allyl-2,2-bis(4-methylphenyl)cyclopropanecarboxamide
CID 2884775
2-phenyl-N-(2,2,6,6-tetramethylpiperidin-4-yl)butanamide
CID 2924317
N-butyl-2-(4-methylphenyl)acetamide
CID 1825321
4-[[(1R,2S)-2-[(E)-1-phenylprop-1-en-2-yl]cyclopropyl]amino]piperidin-2-one
CID 134481078
N-isopentyl-4-phenylbutanamide
CID 1725703
3-cyclopentyl-N-(4-phenylbutan-2-yl)propanamide
CID 2931878
1-Cyclopropanecarboxamide, 2-phenyl-N-octyl-
CID 3093199

Frequently Asked Questions

What is the IUPAC name of 2-(aminomethyl)-N-tert-butyl-3-(4-cyclopropylphenyl)propanamide?
The IUPAC name of 2-(aminomethyl)-N-tert-butyl-3-(4-cyclopropylphenyl)propanamide (CID 79980056) is 2-(aminomethyl)-N-tert-butyl-3-(4-cyclopropylphenyl)propanamide.
What is the SMILES notation for 2-(aminomethyl)-N-tert-butyl-3-(4-cyclopropylphenyl)propanamide?
The canonical SMILES for 2-(aminomethyl)-N-tert-butyl-3-(4-cyclopropylphenyl)propanamide is CC(C)(C)NC(=O)C(CN)Cc1ccc(C2CC2)cc1.
What is the InChIKey of 2-(aminomethyl)-N-tert-butyl-3-(4-cyclopropylphenyl)propanamide?
The InChIKey is ROBDJMGIFNDUNY-UHFFFAOYSA-N. The full InChI is InChI=1S/C17H26N2O/c1-17(2,3)19-16(20)15(11-18)10-12-4-6-13(7-5-12)14-8-9-14/h4-7,14-15H,8-11,18H2,1-3H3,(H,19,20).
What are the key properties of 2-(aminomethyl)-N-tert-butyl-3-(4-cyclopropylphenyl)propanamide?
2-(aminomethyl)-N-tert-butyl-3-(4-cyclopropylphenyl)propanamide has a molecular weight of 274.41 g/mol, XLogP of 2.60, 5 rotatable bonds, 2 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 2-(aminomethyl)-N-tert-butyl-3-(4-cyclopropylphenyl)propanamide is sourced from PubChem (CID 79980056), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).