N-[3-[[2-(diethylamino)-2-oxoethyl]amino]phenyl]-2,2-dimethylpropanamide

C17H27N3O2 — CID 54836795

IUPACN-[3-[[2-(diethylamino)-2-oxoethyl]amino]phenyl]-2,2-dimethylpropanamide
SMILESCCN(CC)C(=O)CNc1cccc(NC(=O)C(C)(C)C)c1
InChIInChI=1S/C17H27N3O2/c1-6-20(7-2)15(21)12-18-13-9-8-10-14(11-13)19-16(22)17(3,4)5/h8-11,18H,6-7,12H2,1-5H3,(H,19,22)
InChIKeyPYETXSQRRYAXSD-UHFFFAOYSA-N
MW305.42 g/mol
LogP2.95
Rot. Bonds6

About N-[3-[[2-(diethylamino)-2-oxoethyl]amino]phenyl]-2,2-dimethylpropanamide

N-[3-[[2-(diethylamino)-2-oxoethyl]amino]phenyl]-2,2-dimethylpropanamide (PubChem CID 54836795) has the molecular formula C17H27N3O2 and a molecular weight of 305.42 g/mol. Its IUPAC name is N-[3-[[2-(diethylamino)-2-oxoethyl]amino]phenyl]-2,2-dimethylpropanamide.

Molecular Properties

Compound NameN-[3-[[2-(diethylamino)-2-oxoethyl]amino]phenyl]-2,2-dimethylpropanamide
PubChem CID54836795
Molecular FormulaC17H27N3O2
Molecular Weight305.42 g/mol
Exact Mass305.21
IUPAC NameN-[3-[[2-(diethylamino)-2-oxoethyl]amino]phenyl]-2,2-dimethylpropanamide
SMILESCCN(CC)C(=O)CNc1cccc(NC(=O)C(C)(C)C)c1
InChIInChI=1S/C17H27N3O2/c1-6-20(7-2)15(21)12-18-13-9-8-10-14(11-13)19-16(22)17(3,4)5/h8-11,18H,6-7,12H2,1-5H3,(H,19,22)
InChIKeyPYETXSQRRYAXSD-UHFFFAOYSA-N
XLogP2.95
TPSA61.44 Ų
H-Bond Donors2
H-Bond Acceptors3
Rotatable Bonds6
Heavy Atoms22
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500305.42
LogP ≤ 52.95
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 103

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Related Compounds

N-[3-[[2-(diethylamino)-2-oxoethyl]amino]phenyl]-2-methylpropanamide
CID 54831682
2-(3-chloroanilino)-N,N-diethylacetamide
CID 28580548
N,N-diethyl-2-[3-(trifluoromethyl)anilino]acetamide
CID 28571798
2-anilino-N,N-diethylacetamide;hydrochloride
CID 119671427
ethyl N-[3-(2,2-dimethylpropanoylamino)phenyl]carbamate
CID 60723628
N,N-diethyl-2-(3-ethynylanilino)acetamide
CID 28564060
3-[[2-(diethylamino)-2-oxoethyl]amino]-N-[3-(trifluoromethyl)phenyl]benzamide
CID 54841572
N-[3-[[2-(3,5-dimethoxyanilino)-2-oxoethyl]amino]phenyl]-2,2-dimethylpropanamide
CID 31761319
3-(2,2-dimethylpropanoylamino)-N-ethyl-N-methylbenzamide
CID 134063370
2,2-dimethyl-N-[3-[[2-(naphthalen-2-ylamino)-2-oxoethyl]amino]phenyl]propanamide
CID 31761155
N-[3-[[2-(dipropylamino)-2-oxoethyl]amino]phenyl]-2-methylpropanamide
CID 54831572
2,2-dimethyl-N-[3-[[2-oxo-2-(1-phenylpropylamino)ethyl]amino]phenyl]propanamide
CID 54835424

Frequently Asked Questions

What is the IUPAC name of N-[3-[[2-(diethylamino)-2-oxoethyl]amino]phenyl]-2,2-dimethylpropanamide?
The IUPAC name of N-[3-[[2-(diethylamino)-2-oxoethyl]amino]phenyl]-2,2-dimethylpropanamide (CID 54836795) is N-[3-[[2-(diethylamino)-2-oxoethyl]amino]phenyl]-2,2-dimethylpropanamide.
What is the SMILES notation for N-[3-[[2-(diethylamino)-2-oxoethyl]amino]phenyl]-2,2-dimethylpropanamide?
The canonical SMILES for N-[3-[[2-(diethylamino)-2-oxoethyl]amino]phenyl]-2,2-dimethylpropanamide is CCN(CC)C(=O)CNc1cccc(NC(=O)C(C)(C)C)c1.
What is the InChIKey of N-[3-[[2-(diethylamino)-2-oxoethyl]amino]phenyl]-2,2-dimethylpropanamide?
The InChIKey is PYETXSQRRYAXSD-UHFFFAOYSA-N. The full InChI is InChI=1S/C17H27N3O2/c1-6-20(7-2)15(21)12-18-13-9-8-10-14(11-13)19-16(22)17(3,4)5/h8-11,18H,6-7,12H2,1-5H3,(H,19,22).
What are the key properties of N-[3-[[2-(diethylamino)-2-oxoethyl]amino]phenyl]-2,2-dimethylpropanamide?
N-[3-[[2-(diethylamino)-2-oxoethyl]amino]phenyl]-2,2-dimethylpropanamide has a molecular weight of 305.42 g/mol, XLogP of 2.95, 6 rotatable bonds, 2 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for N-[3-[[2-(diethylamino)-2-oxoethyl]amino]phenyl]-2,2-dimethylpropanamide is sourced from PubChem (CID 54836795), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).