4-[[(2R)-1-(4-acetylanilino)-1-oxopropan-2-yl]amino]-N,N-diethylbenzamide

C22H27N3O3 — CID 9326771

IUPAC4-[[(2R)-1-(4-acetylanilino)-1-oxopropan-2-yl]amino]-N,N-diethylbenzamide
SMILESCCN(CC)C(=O)c1ccc(N[C@H](C)C(=O)Nc2ccc(C(C)=O)cc2)cc1
InChIInChI=1S/C22H27N3O3/c1-5-25(6-2)22(28)18-9-13-19(14-10-18)23-15(3)21(27)24-20-11-7-17(8-12-20)16(4)26/h7-15,23H,5-6H2,1-4H3,(H,24,27)/t15-/m1/s1
InChIKeyNCWTWPKEOWJZIT-OAHLLOKOSA-N
MW381.48 g/mol
LogP3.81
Rot. Bonds8

About 4-[[(2R)-1-(4-acetylanilino)-1-oxopropan-2-yl]amino]-N,N-diethylbenzamide

4-[[(2R)-1-(4-acetylanilino)-1-oxopropan-2-yl]amino]-N,N-diethylbenzamide (PubChem CID 9326771) has the molecular formula C22H27N3O3 and a molecular weight of 381.48 g/mol. Its IUPAC name is 4-[[(2R)-1-(4-acetylanilino)-1-oxopropan-2-yl]amino]-N,N-diethylbenzamide.

Molecular Properties

Compound Name4-[[(2R)-1-(4-acetylanilino)-1-oxopropan-2-yl]amino]-N,N-diethylbenzamide
PubChem CID9326771
Molecular FormulaC22H27N3O3
Molecular Weight381.48 g/mol
Exact Mass381.21
IUPAC Name4-[[(2R)-1-(4-acetylanilino)-1-oxopropan-2-yl]amino]-N,N-diethylbenzamide
SMILESCCN(CC)C(=O)c1ccc(N[C@H](C)C(=O)Nc2ccc(C(C)=O)cc2)cc1
InChIInChI=1S/C22H27N3O3/c1-5-25(6-2)22(28)18-9-13-19(14-10-18)23-15(3)21(27)24-20-11-7-17(8-12-20)16(4)26/h7-15,23H,5-6H2,1-4H3,(H,24,27)/t15-/m1/s1
InChIKeyNCWTWPKEOWJZIT-OAHLLOKOSA-N
XLogP3.81
TPSA78.51 Ų
H-Bond Donors2
H-Bond Acceptors4
Rotatable Bonds8
Heavy Atoms28
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500381.48
LogP ≤ 53.81
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 104

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Related Compounds

(2S)-N-(4-acetylphenyl)-2-(4-chloroanilino)propanamide
CID 8019529
(2R)-N-(4-acetylphenyl)-2-(4-chloroanilino)propanamide
CID 8019533
N,N-diethyl-4-[[2-methyl-3-(methylamino)propanoyl]amino]benzamide
CID 79203975
4-[[(2S)-2-aminobutanoyl]amino]-N,N-diethylbenzamide
CID 79023506
2-(4-acetylanilino)-N-methylpropanamide
CID 115573414
4-[(4-amino-2-methylbutanoyl)amino]-N,N-diethylbenzamide
CID 80542029
1-N-(4-acetamidophenyl)-4-N,4-N-diethylbenzene-1,4-dicarboxamide
CID 109048426
2-(4-acetylanilino)-N-(2,3-dihydro-1,4-benzodioxin-6-yl)propanamide
CID 42917950
4-(2-aminopentanoylamino)-N,N-diethylbenzamide;hydrochloride
CID 119268408
4-[[(2S)-2-amino-3,3-dimethylbutanoyl]amino]-N,N-diethylbenzamide;hydrochloride
CID 119684182
N,N-diethyl-4-[[(2S)-2-phenoxypropanoyl]amino]benzamide
CID 8503969
3-(4-acetylphenyl)-1-ethyl-1-propan-2-ylurea
CID 61346463

Frequently Asked Questions

What is the IUPAC name of 4-[[(2R)-1-(4-acetylanilino)-1-oxopropan-2-yl]amino]-N,N-diethylbenzamide?
The IUPAC name of 4-[[(2R)-1-(4-acetylanilino)-1-oxopropan-2-yl]amino]-N,N-diethylbenzamide (CID 9326771) is 4-[[(2R)-1-(4-acetylanilino)-1-oxopropan-2-yl]amino]-N,N-diethylbenzamide.
What is the SMILES notation for 4-[[(2R)-1-(4-acetylanilino)-1-oxopropan-2-yl]amino]-N,N-diethylbenzamide?
The canonical SMILES for 4-[[(2R)-1-(4-acetylanilino)-1-oxopropan-2-yl]amino]-N,N-diethylbenzamide is CCN(CC)C(=O)c1ccc(N[C@H](C)C(=O)Nc2ccc(C(C)=O)cc2)cc1.
What is the InChIKey of 4-[[(2R)-1-(4-acetylanilino)-1-oxopropan-2-yl]amino]-N,N-diethylbenzamide?
The InChIKey is NCWTWPKEOWJZIT-OAHLLOKOSA-N. The full InChI is InChI=1S/C22H27N3O3/c1-5-25(6-2)22(28)18-9-13-19(14-10-18)23-15(3)21(27)24-20-11-7-17(8-12-20)16(4)26/h7-15,23H,5-6H2,1-4H3,(H,24,27)/t15-/m1/s1.
What are the key properties of 4-[[(2R)-1-(4-acetylanilino)-1-oxopropan-2-yl]amino]-N,N-diethylbenzamide?
4-[[(2R)-1-(4-acetylanilino)-1-oxopropan-2-yl]amino]-N,N-diethylbenzamide has a molecular weight of 381.48 g/mol, XLogP of 3.81, 8 rotatable bonds, 2 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 4-[[(2R)-1-(4-acetylanilino)-1-oxopropan-2-yl]amino]-N,N-diethylbenzamide is sourced from PubChem (CID 9326771), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).