N,N-dimethyl-3-(2-methyloctan-2-ylamino)propanamide

C14H30N2O — CID 155451070

IUPACN,N-dimethyl-3-(2-methyloctan-2-ylamino)propanamide
SMILESCCCCCCC(C)(C)NCCC(=O)N(C)C
InChIInChI=1S/C14H30N2O/c1-6-7-8-9-11-14(2,3)15-12-10-13(17)16(4)5/h15H,6-12H2,1-5H3
InChIKeyISZRHOVMNGJESF-UHFFFAOYSA-N
MW242.41 g/mol
LogP2.80
Rot. Bonds9

About N,N-dimethyl-3-(2-methyloctan-2-ylamino)propanamide

N,N-dimethyl-3-(2-methyloctan-2-ylamino)propanamide (PubChem CID 155451070) has the molecular formula C14H30N2O and a molecular weight of 242.41 g/mol. Its IUPAC name is N,N-dimethyl-3-(2-methyloctan-2-ylamino)propanamide.

Molecular Properties

Compound NameN,N-dimethyl-3-(2-methyloctan-2-ylamino)propanamide
PubChem CID155451070
Molecular FormulaC14H30N2O
Molecular Weight242.41 g/mol
Exact Mass242.24
IUPAC NameN,N-dimethyl-3-(2-methyloctan-2-ylamino)propanamide
SMILESCCCCCCC(C)(C)NCCC(=O)N(C)C
InChIInChI=1S/C14H30N2O/c1-6-7-8-9-11-14(2,3)15-12-10-13(17)16(4)5/h15H,6-12H2,1-5H3
InChIKeyISZRHOVMNGJESF-UHFFFAOYSA-N
XLogP2.80
TPSA32.34 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds9
Heavy Atoms17
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500242.41
LogP ≤ 52.80
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 102

Computed Properties (RDKit)

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

Analyze N,N-dimethyl-3-(2-methyloctan-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

N,N-dimethyldecanamide;N,N-dimethyloctanamide
CID 155099591
ethyl 6-(2-methylpentadecan-2-ylamino)hexanoate
CID 20571657
N,N-dimethyloctadecanamide;hydrobromide
CID 174406080
N,N-dimethyldodecanamide;hydrochloride
CID 173149987
azane;N,N-dimethyltetradecanamide;hydrochloride
CID 174348000
N-ethyl-2-methyloctan-2-amine
CID 123477104
N-[4-[[4-(dimethylamino)-4-oxobutyl]amino]-4-oxobutyl]octanamide
CID 86082203
3-(2-methyltridecan-2-ylamino)propane-1-sulfonic acid
CID 18699565
3-[(2-hydroxy-2-methylpentyl)amino]-N,N-dimethylpropanamide
CID 106293108
2-(2-methyltridecan-2-ylamino)ethyl 2-methylprop-2-enoate
CID 89314536
2-(heptylamino)-N,N-dimethylacetamide
CID 43214901
N,N-dimethyloctadecanamide;thiourea
CID 174811693

Frequently Asked Questions

What is the IUPAC name of N,N-dimethyl-3-(2-methyloctan-2-ylamino)propanamide?
The IUPAC name of N,N-dimethyl-3-(2-methyloctan-2-ylamino)propanamide (CID 155451070) is N,N-dimethyl-3-(2-methyloctan-2-ylamino)propanamide.
What is the SMILES notation for N,N-dimethyl-3-(2-methyloctan-2-ylamino)propanamide?
The canonical SMILES for N,N-dimethyl-3-(2-methyloctan-2-ylamino)propanamide is CCCCCCC(C)(C)NCCC(=O)N(C)C.
What is the InChIKey of N,N-dimethyl-3-(2-methyloctan-2-ylamino)propanamide?
The InChIKey is ISZRHOVMNGJESF-UHFFFAOYSA-N. The full InChI is InChI=1S/C14H30N2O/c1-6-7-8-9-11-14(2,3)15-12-10-13(17)16(4)5/h15H,6-12H2,1-5H3.
What are the key properties of N,N-dimethyl-3-(2-methyloctan-2-ylamino)propanamide?
N,N-dimethyl-3-(2-methyloctan-2-ylamino)propanamide has a molecular weight of 242.41 g/mol, XLogP of 2.80, 9 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for N,N-dimethyl-3-(2-methyloctan-2-ylamino)propanamide is sourced from PubChem (CID 155451070), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).