3-amino-N-[(4-methylphenyl)methyl]-N-propan-2-ylpropanamide

C14H22N2O — CID 92930297

IUPAC3-amino-N-[(4-methylphenyl)methyl]-N-propan-2-ylpropanamide
SMILESCc1ccc(CN(C(=O)CCN)C(C)C)cc1
InChIInChI=1S/C14H22N2O/c1-11(2)16(14(17)8-9-15)10-13-6-4-12(3)5-7-13/h4-7,11H,8-10,15H2,1-3H3
InChIKeyIZYHKDLUOALMEC-UHFFFAOYSA-N
MW234.34 g/mol
LogP2.08
Rot. Bonds5

About 3-amino-N-[(4-methylphenyl)methyl]-N-propan-2-ylpropanamide

3-amino-N-[(4-methylphenyl)methyl]-N-propan-2-ylpropanamide (PubChem CID 92930297) has the molecular formula C14H22N2O and a molecular weight of 234.34 g/mol. Its IUPAC name is 3-amino-N-[(4-methylphenyl)methyl]-N-propan-2-ylpropanamide.

Molecular Properties

Compound Name3-amino-N-[(4-methylphenyl)methyl]-N-propan-2-ylpropanamide
PubChem CID92930297
Molecular FormulaC14H22N2O
Molecular Weight234.34 g/mol
Exact Mass234.17
IUPAC Name3-amino-N-[(4-methylphenyl)methyl]-N-propan-2-ylpropanamide
SMILESCc1ccc(CN(C(=O)CCN)C(C)C)cc1
InChIInChI=1S/C14H22N2O/c1-11(2)16(14(17)8-9-15)10-13-6-4-12(3)5-7-13/h4-7,11H,8-10,15H2,1-3H3
InChIKeyIZYHKDLUOALMEC-UHFFFAOYSA-N
XLogP2.08
TPSA46.33 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds5
Heavy Atoms17
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500234.34
LogP ≤ 52.08
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 102

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Related Compounds

3-amino-N-[[4-(dimethylamino)phenyl]methyl]-N-propan-2-ylpropanamide
CID 39363585
3-amino-N-[(4-nitrophenyl)methyl]-N-propan-2-ylpropanamide
CID 119302700
3-amino-N-butan-2-yl-N-[(4-chlorophenyl)methyl]propanamide
CID 112501851
(2S)-2-amino-3-methyl-N-[(4-methylphenyl)methyl]-N-propan-2-ylbutanamide
CID 66568264
N-benzyl-4-methyl-N-propan-2-ylpentanamide
CID 86978961
4-amino-N-[[4-(2-methoxyphenyl)phenyl]methyl]-N-propan-2-ylbutanamide;hydrochloride
CID 119334370
3-amino-N-propan-2-yl-N-(thiophen-2-ylmethyl)propanamide;hydrochloride
CID 119289693
N-[(4-aminophenyl)methyl]-3-methyl-N-propan-2-ylbutanamide
CID 43384017
3-amino-N-benzyl-N-(1-cyclopropylethyl)propanamide;hydrochloride
CID 119265819
2-amino-N-[(4-ethoxyphenyl)methyl]-N-propan-2-ylacetamide
CID 39353233
N-benzyl-3-(ethylamino)-N-propan-2-ylpropanamide
CID 62833900
N-benzyl-3-(2-methylanilino)-N-propan-2-ylpropanamide
CID 109031682

Frequently Asked Questions

What is the IUPAC name of 3-amino-N-[(4-methylphenyl)methyl]-N-propan-2-ylpropanamide?
The IUPAC name of 3-amino-N-[(4-methylphenyl)methyl]-N-propan-2-ylpropanamide (CID 92930297) is 3-amino-N-[(4-methylphenyl)methyl]-N-propan-2-ylpropanamide.
What is the SMILES notation for 3-amino-N-[(4-methylphenyl)methyl]-N-propan-2-ylpropanamide?
The canonical SMILES for 3-amino-N-[(4-methylphenyl)methyl]-N-propan-2-ylpropanamide is Cc1ccc(CN(C(=O)CCN)C(C)C)cc1.
What is the InChIKey of 3-amino-N-[(4-methylphenyl)methyl]-N-propan-2-ylpropanamide?
The InChIKey is IZYHKDLUOALMEC-UHFFFAOYSA-N. The full InChI is InChI=1S/C14H22N2O/c1-11(2)16(14(17)8-9-15)10-13-6-4-12(3)5-7-13/h4-7,11H,8-10,15H2,1-3H3.
What are the key properties of 3-amino-N-[(4-methylphenyl)methyl]-N-propan-2-ylpropanamide?
3-amino-N-[(4-methylphenyl)methyl]-N-propan-2-ylpropanamide has a molecular weight of 234.34 g/mol, XLogP of 2.08, 5 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 3-amino-N-[(4-methylphenyl)methyl]-N-propan-2-ylpropanamide is sourced from PubChem (CID 92930297), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).