2-methyl-N-[2-(2-methylheptan-4-ylamino)ethyl]propanamide

C14H30N2O — CID 123348452

IUPAC2-methyl-N-[2-(2-methylheptan-4-ylamino)ethyl]propanamide
SMILESCCCC(CC(C)C)NCCNC(=O)C(C)C
InChIInChI=1S/C14H30N2O/c1-6-7-13(10-11(2)3)15-8-9-16-14(17)12(4)5/h11-13,15H,6-10H2,1-5H3,(H,16,17)
InChIKeySEHXOAAFZVKRHU-UHFFFAOYSA-N
MW242.41 g/mol
LogP2.56
Rot. Bonds9

About 2-methyl-N-[2-(2-methylheptan-4-ylamino)ethyl]propanamide

2-methyl-N-[2-(2-methylheptan-4-ylamino)ethyl]propanamide (PubChem CID 123348452) has the molecular formula C14H30N2O and a molecular weight of 242.41 g/mol. Its IUPAC name is 2-methyl-N-[2-(2-methylheptan-4-ylamino)ethyl]propanamide.

Molecular Properties

Compound Name2-methyl-N-[2-(2-methylheptan-4-ylamino)ethyl]propanamide
PubChem CID123348452
Molecular FormulaC14H30N2O
Molecular Weight242.41 g/mol
Exact Mass242.24
IUPAC Name2-methyl-N-[2-(2-methylheptan-4-ylamino)ethyl]propanamide
SMILESCCCC(CC(C)C)NCCNC(=O)C(C)C
InChIInChI=1S/C14H30N2O/c1-6-7-13(10-11(2)3)15-8-9-16-14(17)12(4)5/h11-13,15H,6-10H2,1-5H3,(H,16,17)
InChIKeySEHXOAAFZVKRHU-UHFFFAOYSA-N
XLogP2.56
TPSA41.13 Ų
H-Bond Donors2
H-Bond Acceptors2
Rotatable Bonds9
Heavy Atoms17
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500242.41
LogP ≤ 52.56
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 102

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'Aliphatic_long_chain', 'substructure': 'N/A'}

Analyze 2-methyl-N-[2-(2-methylheptan-4-ylamino)ethyl]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-[2-(hexan-3-ylamino)ethyl]-2-methylpropanamide
CID 115905349
N-[2-(hept-6-en-3-ylamino)ethyl]-2-methylpropanamide
CID 115706536
N-[2-(octan-4-ylamino)ethyl]acetamide
CID 102673471
2-[2-(2-methylpropanoylamino)ethylamino]propanoic acid
CID 66171677
(2S)-2-amino-N-[2-(2-methylpropanoylamino)ethyl]hexanamide
CID 103831039
methane;3-methylbutan-2-one;2-methyl-N-propylpropanamide
CID 159729828
N-(1-hydroxy-4-methylpentan-2-yl)-2-propylpentanamide
CID 82987600
2-methyl-N-(4-methyl-2-propan-2-ylpentyl)propanamide
CID 167387123
2-methyl-N-(6-methylheptyl)propanamide
CID 139441078
2-[(2-methylpropanoylamino)methyl]pentanoic acid
CID 65218926
N-[2-(2-hydroxyethyl)-4-methylpentyl]-2-methylpropanamide
CID 111662419
N-(3-iodobutyl)-2-methylpropanamide
CID 139362992

Frequently Asked Questions

What is the IUPAC name of 2-methyl-N-[2-(2-methylheptan-4-ylamino)ethyl]propanamide?
The IUPAC name of 2-methyl-N-[2-(2-methylheptan-4-ylamino)ethyl]propanamide (CID 123348452) is 2-methyl-N-[2-(2-methylheptan-4-ylamino)ethyl]propanamide.
What is the SMILES notation for 2-methyl-N-[2-(2-methylheptan-4-ylamino)ethyl]propanamide?
The canonical SMILES for 2-methyl-N-[2-(2-methylheptan-4-ylamino)ethyl]propanamide is CCCC(CC(C)C)NCCNC(=O)C(C)C.
What is the InChIKey of 2-methyl-N-[2-(2-methylheptan-4-ylamino)ethyl]propanamide?
The InChIKey is SEHXOAAFZVKRHU-UHFFFAOYSA-N. The full InChI is InChI=1S/C14H30N2O/c1-6-7-13(10-11(2)3)15-8-9-16-14(17)12(4)5/h11-13,15H,6-10H2,1-5H3,(H,16,17).
What are the key properties of 2-methyl-N-[2-(2-methylheptan-4-ylamino)ethyl]propanamide?
2-methyl-N-[2-(2-methylheptan-4-ylamino)ethyl]propanamide has a molecular weight of 242.41 g/mol, XLogP of 2.56, 9 rotatable bonds, 2 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 2-methyl-N-[2-(2-methylheptan-4-ylamino)ethyl]propanamide is sourced from PubChem (CID 123348452), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).