3-amino-N,2-dimethyl-N-[(4-propan-2-ylphenyl)methyl]propanamide

C15H24N2O — CID 62671042

IUPAC3-amino-N,2-dimethyl-N-[(4-propan-2-ylphenyl)methyl]propanamide
SMILESCC(CN)C(=O)N(C)Cc1ccc(C(C)C)cc1
InChIInChI=1S/C15H24N2O/c1-11(2)14-7-5-13(6-8-14)10-17(4)15(18)12(3)9-16/h5-8,11-12H,9-10,16H2,1-4H3
InChIKeyHIONCLAQDKOTLM-UHFFFAOYSA-N
MW248.37 g/mol
LogP2.36
Rot. Bonds5

About 3-amino-N,2-dimethyl-N-[(4-propan-2-ylphenyl)methyl]propanamide

3-amino-N,2-dimethyl-N-[(4-propan-2-ylphenyl)methyl]propanamide (PubChem CID 62671042) has the molecular formula C15H24N2O and a molecular weight of 248.37 g/mol. Its IUPAC name is 3-amino-N,2-dimethyl-N-[(4-propan-2-ylphenyl)methyl]propanamide.

Molecular Properties

Compound Name3-amino-N,2-dimethyl-N-[(4-propan-2-ylphenyl)methyl]propanamide
PubChem CID62671042
Molecular FormulaC15H24N2O
Molecular Weight248.37 g/mol
Exact Mass248.19
IUPAC Name3-amino-N,2-dimethyl-N-[(4-propan-2-ylphenyl)methyl]propanamide
SMILESCC(CN)C(=O)N(C)Cc1ccc(C(C)C)cc1
InChIInChI=1S/C15H24N2O/c1-11(2)14-7-5-13(6-8-14)10-17(4)15(18)12(3)9-16/h5-8,11-12H,9-10,16H2,1-4H3
InChIKeyHIONCLAQDKOTLM-UHFFFAOYSA-N
XLogP2.36
TPSA46.33 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds5
Heavy Atoms18
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500248.37
LogP ≤ 52.36
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 102

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Related Compounds

3-amino-N,2-dimethyl-N-[(2-methyl-5-propan-2-ylphenyl)methyl]propanamide
CID 115153748
N-methyl-N-[(4-propan-2-ylphenyl)methyl]acetamide
CID 60631160
1,3-dimethyl-1-[(4-propan-2-ylphenyl)methyl]urea
CID 47127099
methyl N-methyl-N-[(4-propan-2-ylphenyl)methyl]carbamate
CID 115190583
N-[(4-aminophenyl)methyl]-N,2-dimethyl-3-methylsulfanylpropanamide
CID 114221695
N-[[4-(aminomethyl)phenyl]methyl]-N,2-dimethylpropanamide
CID 60921311
3-[methyl-[(4-propan-2-ylphenyl)methyl]amino]-3-oxopropanoic acid
CID 62231087
2-hydroxyethyl N-methyl-N-[(4-propan-2-ylphenyl)methyl]carbamate
CID 79345773
3-amino-N-[(4-ethoxy-3-methylphenyl)methyl]-N,2-dimethylpropanamide
CID 115153737
2-amino-N-methyl-N-[(4-propan-2-ylphenyl)methyl]cyclopropane-1-carboxamide
CID 114997651
3-amino-2-hydroxy-N-methyl-N-[2-(4-propan-2-ylphenyl)ethyl]propanamide
CID 115180822
1-amino-N-methyl-N-[(4-propan-2-ylphenyl)methyl]cyclopropane-1-carboxamide;hydrochloride
CID 119681945

Frequently Asked Questions

What is the IUPAC name of 3-amino-N,2-dimethyl-N-[(4-propan-2-ylphenyl)methyl]propanamide?
The IUPAC name of 3-amino-N,2-dimethyl-N-[(4-propan-2-ylphenyl)methyl]propanamide (CID 62671042) is 3-amino-N,2-dimethyl-N-[(4-propan-2-ylphenyl)methyl]propanamide.
What is the SMILES notation for 3-amino-N,2-dimethyl-N-[(4-propan-2-ylphenyl)methyl]propanamide?
The canonical SMILES for 3-amino-N,2-dimethyl-N-[(4-propan-2-ylphenyl)methyl]propanamide is CC(CN)C(=O)N(C)Cc1ccc(C(C)C)cc1.
What is the InChIKey of 3-amino-N,2-dimethyl-N-[(4-propan-2-ylphenyl)methyl]propanamide?
The InChIKey is HIONCLAQDKOTLM-UHFFFAOYSA-N. The full InChI is InChI=1S/C15H24N2O/c1-11(2)14-7-5-13(6-8-14)10-17(4)15(18)12(3)9-16/h5-8,11-12H,9-10,16H2,1-4H3.
What are the key properties of 3-amino-N,2-dimethyl-N-[(4-propan-2-ylphenyl)methyl]propanamide?
3-amino-N,2-dimethyl-N-[(4-propan-2-ylphenyl)methyl]propanamide has a molecular weight of 248.37 g/mol, XLogP of 2.36, 5 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 3-amino-N,2-dimethyl-N-[(4-propan-2-ylphenyl)methyl]propanamide is sourced from PubChem (CID 62671042), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).