N-ethyl-N-methyl-N',N'-diphenylbutanediamide

C19H22N2O2 — CID 172997394

IUPACN-ethyl-N-methyl-N',N'-diphenylbutanediamide
SMILESCCN(C)C(=O)CCC(=O)N(c1ccccc1)c1ccccc1
InChIInChI=1S/C19H22N2O2/c1-3-20(2)18(22)14-15-19(23)21(16-10-6-4-7-11-16)17-12-8-5-9-13-17/h4-13H,3,14-15H2,1-2H3
InChIKeyCLQRUGSGWDXBNU-UHFFFAOYSA-N
MW310.40 g/mol
LogP3.61
Rot. Bonds6

About N-ethyl-N-methyl-N',N'-diphenylbutanediamide

N-ethyl-N-methyl-N',N'-diphenylbutanediamide (PubChem CID 172997394) has the molecular formula C19H22N2O2 and a molecular weight of 310.40 g/mol. Its IUPAC name is N-ethyl-N-methyl-N',N'-diphenylbutanediamide.

Molecular Properties

Compound NameN-ethyl-N-methyl-N',N'-diphenylbutanediamide
PubChem CID172997394
Molecular FormulaC19H22N2O2
Molecular Weight310.40 g/mol
Exact Mass310.17
IUPAC NameN-ethyl-N-methyl-N',N'-diphenylbutanediamide
SMILESCCN(C)C(=O)CCC(=O)N(c1ccccc1)c1ccccc1
InChIInChI=1S/C19H22N2O2/c1-3-20(2)18(22)14-15-19(23)21(16-10-6-4-7-11-16)17-12-8-5-9-13-17/h4-13H,3,14-15H2,1-2H3
InChIKeyCLQRUGSGWDXBNU-UHFFFAOYSA-N
XLogP3.61
TPSA40.62 Ų
H-Bond Donors
H-Bond Acceptors2
Rotatable Bonds6
Heavy Atoms23
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500310.40
LogP ≤ 53.61
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 102

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Related Compounds

1-ethyl-1-methyl-3,3-diphenylurea
CID 67018920
4-oxo-N,N-diphenyl-4-(2-propanoylhydrazinyl)butanamide
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4-oxo-N,N,4-triphenylbutanamide
CID 11695603
3-chloro-N,N-diphenylpropanamide
CID 3331408
2-(N-[2-[ethyl(methyl)amino]-2-oxoethyl]anilino)acetic acid
CID 60839603
4-(2-acetylhydrazinyl)-4-oxo-N,N-diphenylbutanamide
CID 51362140
N',N'-diphenyldodecanediamide
CID 70400318
N-[ethyl(methyl)carbamoyl]-N-phenylacetamide
CID 155277050
(Z)-2-hydroxy-5-oxo-5-(N-phenylanilino)pent-1-ene-1-diazonium
CID 6912772
3-amino-N-ethyl-N-methyl-3-phenylpropanamide
CID 43263469
N,N-diethyl-2-[2-oxo-2-(N-phenylanilino)ethoxy]acetamide
CID 51362044
CID 159685847
CID 159685847

Frequently Asked Questions

What is the IUPAC name of N-ethyl-N-methyl-N',N'-diphenylbutanediamide?
The IUPAC name of N-ethyl-N-methyl-N',N'-diphenylbutanediamide (CID 172997394) is N-ethyl-N-methyl-N',N'-diphenylbutanediamide.
What is the SMILES notation for N-ethyl-N-methyl-N',N'-diphenylbutanediamide?
The canonical SMILES for N-ethyl-N-methyl-N',N'-diphenylbutanediamide is CCN(C)C(=O)CCC(=O)N(c1ccccc1)c1ccccc1.
What is the InChIKey of N-ethyl-N-methyl-N',N'-diphenylbutanediamide?
The InChIKey is CLQRUGSGWDXBNU-UHFFFAOYSA-N. The full InChI is InChI=1S/C19H22N2O2/c1-3-20(2)18(22)14-15-19(23)21(16-10-6-4-7-11-16)17-12-8-5-9-13-17/h4-13H,3,14-15H2,1-2H3.
What are the key properties of N-ethyl-N-methyl-N',N'-diphenylbutanediamide?
N-ethyl-N-methyl-N',N'-diphenylbutanediamide has a molecular weight of 310.40 g/mol, XLogP of 3.61, 6 rotatable bonds, 0 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for N-ethyl-N-methyl-N',N'-diphenylbutanediamide is sourced from PubChem (CID 172997394), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).