N-(3-aminopropyl)-3-(2-methylphenyl)-N-(2-methylpropyl)propanamide

C17H28N2O — CID 62365153

IUPACN-(3-aminopropyl)-3-(2-methylphenyl)-N-(2-methylpropyl)propanamide
SMILESCc1ccccc1CCC(=O)N(CCCN)CC(C)C
InChIInChI=1S/C17H28N2O/c1-14(2)13-19(12-6-11-18)17(20)10-9-16-8-5-4-7-15(16)3/h4-5,7-8,14H,6,9-13,18H2,1-3H3
InChIKeyFIJBNKBFJKQSAZ-UHFFFAOYSA-N
MW276.42 g/mol
LogP2.76
Rot. Bonds8

About N-(3-aminopropyl)-3-(2-methylphenyl)-N-(2-methylpropyl)propanamide

N-(3-aminopropyl)-3-(2-methylphenyl)-N-(2-methylpropyl)propanamide (PubChem CID 62365153) has the molecular formula C17H28N2O and a molecular weight of 276.42 g/mol. Its IUPAC name is N-(3-aminopropyl)-3-(2-methylphenyl)-N-(2-methylpropyl)propanamide.

Molecular Properties

Compound NameN-(3-aminopropyl)-3-(2-methylphenyl)-N-(2-methylpropyl)propanamide
PubChem CID62365153
Molecular FormulaC17H28N2O
Molecular Weight276.42 g/mol
Exact Mass276.22
IUPAC NameN-(3-aminopropyl)-3-(2-methylphenyl)-N-(2-methylpropyl)propanamide
SMILESCc1ccccc1CCC(=O)N(CCCN)CC(C)C
InChIInChI=1S/C17H28N2O/c1-14(2)13-19(12-6-11-18)17(20)10-9-16-8-5-4-7-15(16)3/h4-5,7-8,14H,6,9-13,18H2,1-3H3
InChIKeyFIJBNKBFJKQSAZ-UHFFFAOYSA-N
XLogP2.76
TPSA46.33 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds8
Heavy Atoms20
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500276.42
LogP ≤ 52.76
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 102

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Related Compounds

2-[3-(2-methylphenyl)propanoyl-(2-methylpropyl)amino]acetic acid
CID 63064470
N-(3-bromopropyl)-N-ethyl-3-(2-methylphenyl)propanamide
CID 113469201
N-(2-bromoethyl)-N-butyl-3-(2-methylphenyl)propanamide
CID 80659752
N-(2-aminoethyl)-3-(2-methylphenyl)-N-pentan-3-ylpropanamide
CID 63753493
N-(2-hydroxyethyl)-N-methyl-3-(2-methylphenyl)propanamide
CID 62366240
3-(2-aminophenyl)-N-methyl-N-(2-methylpropyl)propanamide
CID 43309262
N-(3-hydroxypropyl)-3-(2-methylphenyl)-N-propan-2-ylpropanamide
CID 62366412
N-(3-amino-3-hydroxyimino-2-methylpropyl)-N-methyl-3-(2-methylphenyl)propanamide
CID 76941574
3-amino-N-[(2-chlorophenyl)methyl]-N-(2-methylpropyl)propanamide
CID 39367425
N-(1-bromopropan-2-yl)-N-methyl-3-(2-methylphenyl)propanamide
CID 104555951
2-[[methyl-[(2-methylphenyl)methyl]carbamoyl]-(2-methylpropyl)amino]acetic acid
CID 63065968
N-(2-aminoethyl)-3-(2-methylphenyl)propanamide
CID 62367065

Frequently Asked Questions

What is the IUPAC name of N-(3-aminopropyl)-3-(2-methylphenyl)-N-(2-methylpropyl)propanamide?
The IUPAC name of N-(3-aminopropyl)-3-(2-methylphenyl)-N-(2-methylpropyl)propanamide (CID 62365153) is N-(3-aminopropyl)-3-(2-methylphenyl)-N-(2-methylpropyl)propanamide.
What is the SMILES notation for N-(3-aminopropyl)-3-(2-methylphenyl)-N-(2-methylpropyl)propanamide?
The canonical SMILES for N-(3-aminopropyl)-3-(2-methylphenyl)-N-(2-methylpropyl)propanamide is Cc1ccccc1CCC(=O)N(CCCN)CC(C)C.
What is the InChIKey of N-(3-aminopropyl)-3-(2-methylphenyl)-N-(2-methylpropyl)propanamide?
The InChIKey is FIJBNKBFJKQSAZ-UHFFFAOYSA-N. The full InChI is InChI=1S/C17H28N2O/c1-14(2)13-19(12-6-11-18)17(20)10-9-16-8-5-4-7-15(16)3/h4-5,7-8,14H,6,9-13,18H2,1-3H3.
What are the key properties of N-(3-aminopropyl)-3-(2-methylphenyl)-N-(2-methylpropyl)propanamide?
N-(3-aminopropyl)-3-(2-methylphenyl)-N-(2-methylpropyl)propanamide has a molecular weight of 276.42 g/mol, XLogP of 2.76, 8 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for N-(3-aminopropyl)-3-(2-methylphenyl)-N-(2-methylpropyl)propanamide is sourced from PubChem (CID 62365153), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).