N,N-dimethyloctadecanamide;thiourea

C21H45N3OS — CID 174811693

IUPACN,N-dimethyloctadecanamide;thiourea
SMILESCCCCCCCCCCCCCCCCCC(=O)N(C)C.NC(N)=S
InChIInChI=1S/C20H41NO.CH4N2S/c1-4-5-6-7-8-9-10-11-12-13-14-15-16-17-18-19-20(22)21(2)3;2-1(3)4/h4-19H2,1-3H3;(H4,2,3,4)
InChIKeyYBXXQJWTJIELRC-UHFFFAOYSA-N
MW387.68 g/mol
LogP5.52
Rot. Bonds16

About N,N-dimethyloctadecanamide;thiourea

N,N-dimethyloctadecanamide;thiourea (PubChem CID 174811693) has the molecular formula C21H45N3OS and a molecular weight of 387.68 g/mol. Its IUPAC name is N,N-dimethyloctadecanamide;thiourea.

Molecular Properties

Compound NameN,N-dimethyloctadecanamide;thiourea
PubChem CID174811693
Molecular FormulaC21H45N3OS
Molecular Weight387.68 g/mol
Exact Mass387.33
IUPAC NameN,N-dimethyloctadecanamide;thiourea
SMILESCCCCCCCCCCCCCCCCCC(=O)N(C)C.NC(N)=S
InChIInChI=1S/C20H41NO.CH4N2S/c1-4-5-6-7-8-9-10-11-12-13-14-15-16-17-18-19-20(22)21(2)3;2-1(3)4/h4-19H2,1-3H3;(H4,2,3,4)
InChIKeyYBXXQJWTJIELRC-UHFFFAOYSA-N
XLogP5.52
TPSA72.35 Ų
H-Bond Donors2
H-Bond Acceptors2
Rotatable Bonds16
Heavy Atoms26
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500387.68
LogP ≤ 55.52
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 102

Computed Properties (RDKit)

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

Analyze N,N-dimethyloctadecanamide;thiourea 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
N,N-dimethyloctadecanamide;hydrobromide
CID 174406080
N,N-dimethyldodecanamide;hydrochloride
CID 173149987
azane;N,N-dimethyltetradecanamide;hydrochloride
CID 174348000
N-(3-amino-3-sulfanylidenepropyl)-N-methylnonanamide
CID 65449539
octadecanoic acid;thiourea
CID 159716249
N-(1-amino-1-sulfanylidenepropan-2-yl)-N-methylnonanamide
CID 65448406
N-decanoyl-N-methyldecanamide
CID 141076390
N,N-dimethylhexanamide;N-methylhexanamide
CID 90794993
N-[4-[[4-(dimethylamino)-4-oxobutyl]amino]-4-oxobutyl]octanamide
CID 86082203
N,N-dimethyl-8-(3-octyloxiran-2-yl)octanamide
CID 19889031
N-hydroxy-N-methyloctadecanamide
CID 19818891

Frequently Asked Questions

What is the IUPAC name of N,N-dimethyloctadecanamide;thiourea?
The IUPAC name of N,N-dimethyloctadecanamide;thiourea (CID 174811693) is N,N-dimethyloctadecanamide;thiourea.
What is the SMILES notation for N,N-dimethyloctadecanamide;thiourea?
The canonical SMILES for N,N-dimethyloctadecanamide;thiourea is CCCCCCCCCCCCCCCCCC(=O)N(C)C.NC(N)=S.
What is the InChIKey of N,N-dimethyloctadecanamide;thiourea?
The InChIKey is YBXXQJWTJIELRC-UHFFFAOYSA-N. The full InChI is InChI=1S/C20H41NO.CH4N2S/c1-4-5-6-7-8-9-10-11-12-13-14-15-16-17-18-19-20(22)21(2)3;2-1(3)4/h4-19H2,1-3H3;(H4,2,3,4).
What are the key properties of N,N-dimethyloctadecanamide;thiourea?
N,N-dimethyloctadecanamide;thiourea has a molecular weight of 387.68 g/mol, XLogP of 5.52, 16 rotatable bonds, 2 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for N,N-dimethyloctadecanamide;thiourea is sourced from PubChem (CID 174811693), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).