N-[4-[[acetyl(cyclopropyl)amino]methyl]phenyl]-2-(4-ethylphenyl)-2-methylpropanamide

C24H30N2O2 — CID 91644095

IUPACN-[4-[[acetyl(cyclopropyl)amino]methyl]phenyl]-2-(4-ethylphenyl)-2-methylpropanamide
SMILESCCc1ccc(C(C)(C)C(=O)Nc2ccc(CN(C(C)=O)C3CC3)cc2)cc1
InChIInChI=1S/C24H30N2O2/c1-5-18-6-10-20(11-7-18)24(3,4)23(28)25-21-12-8-19(9-13-21)16-26(17(2)27)22-14-15-22/h6-13,22H,5,14-16H2,1-4H3,(H,25,28)
InChIKeyOTGQZPXMDUHVMR-UHFFFAOYSA-N
MW378.52 g/mol
LogP4.68
Rot. Bonds7

About N-[4-[[acetyl(cyclopropyl)amino]methyl]phenyl]-2-(4-ethylphenyl)-2-methylpropanamide

N-[4-[[acetyl(cyclopropyl)amino]methyl]phenyl]-2-(4-ethylphenyl)-2-methylpropanamide (PubChem CID 91644095) has the molecular formula C24H30N2O2 and a molecular weight of 378.52 g/mol. Its IUPAC name is N-[4-[[acetyl(cyclopropyl)amino]methyl]phenyl]-2-(4-ethylphenyl)-2-methylpropanamide.

Molecular Properties

Compound NameN-[4-[[acetyl(cyclopropyl)amino]methyl]phenyl]-2-(4-ethylphenyl)-2-methylpropanamide
PubChem CID91644095
Molecular FormulaC24H30N2O2
Molecular Weight378.52 g/mol
Exact Mass378.23
IUPAC NameN-[4-[[acetyl(cyclopropyl)amino]methyl]phenyl]-2-(4-ethylphenyl)-2-methylpropanamide
SMILESCCc1ccc(C(C)(C)C(=O)Nc2ccc(CN(C(C)=O)C3CC3)cc2)cc1
InChIInChI=1S/C24H30N2O2/c1-5-18-6-10-20(11-7-18)24(3,4)23(28)25-21-12-8-19(9-13-21)16-26(17(2)27)22-14-15-22/h6-13,22H,5,14-16H2,1-4H3,(H,25,28)
InChIKeyOTGQZPXMDUHVMR-UHFFFAOYSA-N
XLogP4.68
TPSA49.41 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds7
Heavy Atoms28
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500378.52
LogP ≤ 54.68
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 102

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Related Compounds

(2R)-N-[4-[[acetyl(cyclopropyl)amino]methyl]phenyl]-2-aminopropanamide;hydrochloride
CID 119328523
2-(4-acetamidophenyl)-N-cyclopropyl-N-[[4-(trifluoromethyl)phenyl]methyl]acetamide
CID 31819420
2-[acetyl(cyclopentyl)amino]-N-(4-ethylphenyl)acetamide
CID 113159310
4-[[[4-[[acetyl(cyclopropyl)amino]methyl]phenyl]carbamoylamino]methyl]benzoic acid
CID 122085075
2-[acetyl(cyclohexyl)amino]-N-(4-ethylphenyl)acetamide
CID 113159508
2-[acetyl(cycloheptyl)amino]-N-(4-ethylphenyl)acetamide
CID 113166356
N-(6-amino-3-pyridinyl)-2-(4-ethylphenyl)-2-methylpropanamide;hydrochloride
CID 119515768
1-(4-tert-butylphenyl)-3-(4-ethylphenyl)urea
CID 58441349
2-amino-N-cyclopropyl-N-[(4-ethylphenyl)methyl]-2-methylpentanamide
CID 60938964
2-amino-N-cyclopropyl-N-[(4-ethylphenyl)methyl]-3,3-dimethylbutanamide
CID 76895226
3-[acetyl(cyclopropyl)amino]-N-(4-tert-butylphenyl)propanamide
CID 113115426
(2S)-2-amino-N-cyclopropyl-N-[(4-ethylphenyl)methyl]-3,3-dimethylbutanamide
CID 61165442

Frequently Asked Questions

What is the IUPAC name of N-[4-[[acetyl(cyclopropyl)amino]methyl]phenyl]-2-(4-ethylphenyl)-2-methylpropanamide?
The IUPAC name of N-[4-[[acetyl(cyclopropyl)amino]methyl]phenyl]-2-(4-ethylphenyl)-2-methylpropanamide (CID 91644095) is N-[4-[[acetyl(cyclopropyl)amino]methyl]phenyl]-2-(4-ethylphenyl)-2-methylpropanamide.
What is the SMILES notation for N-[4-[[acetyl(cyclopropyl)amino]methyl]phenyl]-2-(4-ethylphenyl)-2-methylpropanamide?
The canonical SMILES for N-[4-[[acetyl(cyclopropyl)amino]methyl]phenyl]-2-(4-ethylphenyl)-2-methylpropanamide is CCc1ccc(C(C)(C)C(=O)Nc2ccc(CN(C(C)=O)C3CC3)cc2)cc1.
What is the InChIKey of N-[4-[[acetyl(cyclopropyl)amino]methyl]phenyl]-2-(4-ethylphenyl)-2-methylpropanamide?
The InChIKey is OTGQZPXMDUHVMR-UHFFFAOYSA-N. The full InChI is InChI=1S/C24H30N2O2/c1-5-18-6-10-20(11-7-18)24(3,4)23(28)25-21-12-8-19(9-13-21)16-26(17(2)27)22-14-15-22/h6-13,22H,5,14-16H2,1-4H3,(H,25,28).
What are the key properties of N-[4-[[acetyl(cyclopropyl)amino]methyl]phenyl]-2-(4-ethylphenyl)-2-methylpropanamide?
N-[4-[[acetyl(cyclopropyl)amino]methyl]phenyl]-2-(4-ethylphenyl)-2-methylpropanamide has a molecular weight of 378.52 g/mol, XLogP of 4.68, 7 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for N-[4-[[acetyl(cyclopropyl)amino]methyl]phenyl]-2-(4-ethylphenyl)-2-methylpropanamide is sourced from PubChem (CID 91644095), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).