2-(diethylamino)-N-[2,6-dimethyl-3-[[(1S)-1-phenylethyl]carbamoylamino]phenyl]acetamide

C23H32N4O2 — CID 143018137

IUPAC2-(diethylamino)-N-[2,6-dimethyl-3-[[(1S)-1-phenylethyl]carbamoylamino]phenyl]acetamide
SMILESCCN(CC)CC(=O)Nc1c(C)ccc(NC(=O)N[C@@H](C)c2ccccc2)c1C
InChIInChI=1S/C23H32N4O2/c1-6-27(7-2)15-21(28)26-22-16(3)13-14-20(17(22)4)25-23(29)24-18(5)19-11-9-8-10-12-19/h8-14,18H,6-7,15H2,1-5H3,(H,26,28)(H2,24,25,29)/t18-/m0/s1
InChIKeyHZAZMMKVNCZMHN-SFHVURJKSA-N
MW396.54 g/mol
LogP4.47
Rot. Bonds8

About 2-(diethylamino)-N-[2,6-dimethyl-3-[[(1S)-1-phenylethyl]carbamoylamino]phenyl]acetamide

2-(diethylamino)-N-[2,6-dimethyl-3-[[(1S)-1-phenylethyl]carbamoylamino]phenyl]acetamide (PubChem CID 143018137) has the molecular formula C23H32N4O2 and a molecular weight of 396.54 g/mol. Its IUPAC name is 2-(diethylamino)-N-[2,6-dimethyl-3-[[(1S)-1-phenylethyl]carbamoylamino]phenyl]acetamide.

Molecular Properties

Compound Name2-(diethylamino)-N-[2,6-dimethyl-3-[[(1S)-1-phenylethyl]carbamoylamino]phenyl]acetamide
PubChem CID143018137
Molecular FormulaC23H32N4O2
Molecular Weight396.54 g/mol
Exact Mass396.25
IUPAC Name2-(diethylamino)-N-[2,6-dimethyl-3-[[(1S)-1-phenylethyl]carbamoylamino]phenyl]acetamide
SMILESCCN(CC)CC(=O)Nc1c(C)ccc(NC(=O)N[C@@H](C)c2ccccc2)c1C
InChIInChI=1S/C23H32N4O2/c1-6-27(7-2)15-21(28)26-22-16(3)13-14-20(17(22)4)25-23(29)24-18(5)19-11-9-8-10-12-19/h8-14,18H,6-7,15H2,1-5H3,(H,26,28)(H2,24,25,29)/t18-/m0/s1
InChIKeyHZAZMMKVNCZMHN-SFHVURJKSA-N
XLogP4.47
TPSA73.47 Ų
H-Bond Donors3
H-Bond Acceptors3
Rotatable Bonds8
Heavy Atoms29
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500396.54
LogP ≤ 54.47
H-Bond Donors ≤ 53
H-Bond Acceptors ≤ 103

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Related Compounds

2-(diethylamino)-N-[2,6-dimethyl-3-(1-phenylethylcarbamoylamino)phenyl]acetamide
CID 91128420
2-(diethylamino)-N-[2,6-dimethyl-3-(2-phenylethylamino)phenyl]acetamide
CID 91070508
N-[3-[[2-(diethylamino)acetyl]amino]-2,4-dimethylphenyl]tetradecanamide
CID 67352086
1-(2-methylphenyl)-3-(1-phenylethyl)urea
CID 19165597
2-[ethyl-[2-oxo-2-(1-phenylethylamino)ethyl]amino]acetic acid
CID 61012431
bis(2-(diethylamino)-N-(2,6-dimethylphenyl)acetamide);dihydrochloride
CID 69335483
CID 89442401
CID 89442401
2-[ethyl-[2-(3-hydroxy-2,6-dimethylanilino)-2-oxoethyl]amino]-N-(3-hydroxy-2,6-dimethylphenyl)acetamide
CID 170903365
3-(diethylamino)-N-(1-phenylethyl)propanamide
CID 109020107
N-[3-[[2-(diethylamino)acetyl]amino]-2,4-dimethylphenyl]-3-(trifluoromethyl)benzamide
CID 91060611
2-[[2-[ethyl-[2-oxo-2-(propan-2-ylamino)ethyl]amino]acetyl]amino]-N-(1-phenylethyl)benzamide
CID 42913741
2-(diethylamino)-N-(2,6-dimethylphenyl)acetamide;2,2,2-trichloroethane-1,1-diol
CID 67896039

Frequently Asked Questions

What is the IUPAC name of 2-(diethylamino)-N-[2,6-dimethyl-3-[[(1S)-1-phenylethyl]carbamoylamino]phenyl]acetamide?
The IUPAC name of 2-(diethylamino)-N-[2,6-dimethyl-3-[[(1S)-1-phenylethyl]carbamoylamino]phenyl]acetamide (CID 143018137) is 2-(diethylamino)-N-[2,6-dimethyl-3-[[(1S)-1-phenylethyl]carbamoylamino]phenyl]acetamide.
What is the SMILES notation for 2-(diethylamino)-N-[2,6-dimethyl-3-[[(1S)-1-phenylethyl]carbamoylamino]phenyl]acetamide?
The canonical SMILES for 2-(diethylamino)-N-[2,6-dimethyl-3-[[(1S)-1-phenylethyl]carbamoylamino]phenyl]acetamide is CCN(CC)CC(=O)Nc1c(C)ccc(NC(=O)N[C@@H](C)c2ccccc2)c1C.
What is the InChIKey of 2-(diethylamino)-N-[2,6-dimethyl-3-[[(1S)-1-phenylethyl]carbamoylamino]phenyl]acetamide?
The InChIKey is HZAZMMKVNCZMHN-SFHVURJKSA-N. The full InChI is InChI=1S/C23H32N4O2/c1-6-27(7-2)15-21(28)26-22-16(3)13-14-20(17(22)4)25-23(29)24-18(5)19-11-9-8-10-12-19/h8-14,18H,6-7,15H2,1-5H3,(H,26,28)(H2,24,25,29)/t18-/m0/s1.
What are the key properties of 2-(diethylamino)-N-[2,6-dimethyl-3-[[(1S)-1-phenylethyl]carbamoylamino]phenyl]acetamide?
2-(diethylamino)-N-[2,6-dimethyl-3-[[(1S)-1-phenylethyl]carbamoylamino]phenyl]acetamide has a molecular weight of 396.54 g/mol, XLogP of 4.47, 8 rotatable bonds, 3 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 2-(diethylamino)-N-[2,6-dimethyl-3-[[(1S)-1-phenylethyl]carbamoylamino]phenyl]acetamide is sourced from PubChem (CID 143018137), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).