N-(3-methylbutyl)-2-(naphthalen-2-ylamino)propanamide

C18H24N2O — CID 43420253

IUPACN-(3-methylbutyl)-2-(naphthalen-2-ylamino)propanamide
SMILESCC(C)CCNC(=O)C(C)Nc1ccc2ccccc2c1
InChIInChI=1S/C18H24N2O/c1-13(2)10-11-19-18(21)14(3)20-17-9-8-15-6-4-5-7-16(15)12-17/h4-9,12-14,20H,10-11H2,1-3H3,(H,19,21)
InChIKeyXZXXPCJOANTWCB-UHFFFAOYSA-N
MW284.40 g/mol
LogP3.80
Rot. Bonds6

About N-(3-methylbutyl)-2-(naphthalen-2-ylamino)propanamide

N-(3-methylbutyl)-2-(naphthalen-2-ylamino)propanamide (PubChem CID 43420253) has the molecular formula C18H24N2O and a molecular weight of 284.40 g/mol. Its IUPAC name is N-(3-methylbutyl)-2-(naphthalen-2-ylamino)propanamide.

Molecular Properties

Compound NameN-(3-methylbutyl)-2-(naphthalen-2-ylamino)propanamide
PubChem CID43420253
Molecular FormulaC18H24N2O
Molecular Weight284.40 g/mol
Exact Mass284.19
IUPAC NameN-(3-methylbutyl)-2-(naphthalen-2-ylamino)propanamide
SMILESCC(C)CCNC(=O)C(C)Nc1ccc2ccccc2c1
InChIInChI=1S/C18H24N2O/c1-13(2)10-11-19-18(21)14(3)20-17-9-8-15-6-4-5-7-16(15)12-17/h4-9,12-14,20H,10-11H2,1-3H3,(H,19,21)
InChIKeyXZXXPCJOANTWCB-UHFFFAOYSA-N
XLogP3.80
TPSA41.13 Ų
H-Bond Donors2
H-Bond Acceptors2
Rotatable Bonds6
Heavy Atoms21
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500284.40
LogP ≤ 53.80
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 102

Analyze N-(3-methylbutyl)-2-(naphthalen-2-ylamino)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

2-(naphthalen-2-ylamino)-N-propylpropanamide
CID 43401181
2-(naphthalen-2-ylamino)-N-pentylpropanamide
CID 43420250
2-(naphthalen-2-ylamino)-N-prop-2-ynylpropanamide
CID 43420257
2-(3-methoxyanilino)-N-(3-methylbutyl)propanamide
CID 43112828
N-tert-butyl-2-(naphthalen-2-ylamino)propanamide
CID 43401178
2-(3,4-dimethylanilino)-N-naphthalen-2-ylpropanamide
CID 78666889
2-(3-ethylanilino)-N-(3-methylbutyl)propanamide
CID 43113209
2-(4-iodoanilino)-N-(3-methylbutyl)propanamide
CID 43112998
2-(1,3-benzodioxol-5-ylamino)-N-(3-methylbutyl)propanamide
CID 43112699
2-(4-bromo-3-chloroanilino)-N-(3-methylbutyl)propanamide
CID 107619927
4-[[1-(3-methylbutylamino)-1-oxopropan-2-yl]amino]benzamide
CID 43112977
2-(4-bromo-3-methoxyanilino)-N-(3-methylbutyl)propanamide
CID 82868278

Frequently Asked Questions

What is the IUPAC name of N-(3-methylbutyl)-2-(naphthalen-2-ylamino)propanamide?
The IUPAC name of N-(3-methylbutyl)-2-(naphthalen-2-ylamino)propanamide (CID 43420253) is N-(3-methylbutyl)-2-(naphthalen-2-ylamino)propanamide.
What is the SMILES notation for N-(3-methylbutyl)-2-(naphthalen-2-ylamino)propanamide?
The canonical SMILES for N-(3-methylbutyl)-2-(naphthalen-2-ylamino)propanamide is CC(C)CCNC(=O)C(C)Nc1ccc2ccccc2c1.
What is the InChIKey of N-(3-methylbutyl)-2-(naphthalen-2-ylamino)propanamide?
The InChIKey is XZXXPCJOANTWCB-UHFFFAOYSA-N. The full InChI is InChI=1S/C18H24N2O/c1-13(2)10-11-19-18(21)14(3)20-17-9-8-15-6-4-5-7-16(15)12-17/h4-9,12-14,20H,10-11H2,1-3H3,(H,19,21).
What are the key properties of N-(3-methylbutyl)-2-(naphthalen-2-ylamino)propanamide?
N-(3-methylbutyl)-2-(naphthalen-2-ylamino)propanamide has a molecular weight of 284.40 g/mol, XLogP of 3.80, 6 rotatable bonds, 2 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for N-(3-methylbutyl)-2-(naphthalen-2-ylamino)propanamide is sourced from PubChem (CID 43420253), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).