2-(4-tert-butylanilino)-N-cyclopropyl-2-phenylacetamide

C21H26N2O — CID 60597929

IUPAC2-(4-tert-butylanilino)-N-cyclopropyl-2-phenylacetamide
SMILESCC(C)(C)c1ccc(NC(C(=O)NC2CC2)c2ccccc2)cc1
InChIInChI=1S/C21H26N2O/c1-21(2,3)16-9-11-17(12-10-16)22-19(15-7-5-4-6-8-15)20(24)23-18-13-14-18/h4-12,18-19,22H,13-14H2,1-3H3,(H,23,24)
InChIKeyIOOSVASQDCSEOG-UHFFFAOYSA-N
MW322.45 g/mol
LogP4.42
Rot. Bonds5

About 2-(4-tert-butylanilino)-N-cyclopropyl-2-phenylacetamide

2-(4-tert-butylanilino)-N-cyclopropyl-2-phenylacetamide (PubChem CID 60597929) has the molecular formula C21H26N2O and a molecular weight of 322.45 g/mol. Its IUPAC name is 2-(4-tert-butylanilino)-N-cyclopropyl-2-phenylacetamide.

Molecular Properties

Compound Name2-(4-tert-butylanilino)-N-cyclopropyl-2-phenylacetamide
PubChem CID60597929
Molecular FormulaC21H26N2O
Molecular Weight322.45 g/mol
Exact Mass322.20
IUPAC Name2-(4-tert-butylanilino)-N-cyclopropyl-2-phenylacetamide
SMILESCC(C)(C)c1ccc(NC(C(=O)NC2CC2)c2ccccc2)cc1
InChIInChI=1S/C21H26N2O/c1-21(2,3)16-9-11-17(12-10-16)22-19(15-7-5-4-6-8-15)20(24)23-18-13-14-18/h4-12,18-19,22H,13-14H2,1-3H3,(H,23,24)
InChIKeyIOOSVASQDCSEOG-UHFFFAOYSA-N
XLogP4.42
TPSA41.13 Ų
H-Bond Donors2
H-Bond Acceptors2
Rotatable Bonds5
Heavy Atoms24
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500322.45
LogP ≤ 54.42
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 102

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Related Compounds

2-(4-tert-butylanilino)-2-phenylacetic acid
CID 103232176
N-cyclopropyl-2-(3,4-difluoroanilino)-2-phenylacetamide
CID 51248536
(2R)-2-(4-bromo-3-methylanilino)-N-cyclopropyl-2-phenylacetamide
CID 25356041
N-cyclopropyl-4-[[2-(4-methylanilino)-2-oxo-1-phenylethyl]amino]benzamide
CID 24624066
(2S)-2-(4-tert-butylphenyl)sulfanyl-N-cyclopropyl-2-phenylacetamide
CID 9042642
N-[4-[[(1S)-2-(cyclopropylamino)-2-oxo-1-phenylethyl]amino]phenyl]furan-2-carboxamide
CID 34277955
(2S)-N-cyclopropyl-2-[3-(hydroxymethyl)-4-methoxyanilino]-2-phenylacetamide
CID 94796172
N-cyclopropyl-2-(3,4-dihydro-2H-1,5-benzodioxepin-7-ylamino)-2-phenylacetamide
CID 78807692
(2S)-N-cyclopropyl-2-(2-methoxyanilino)-2-phenylacetamide
CID 41012863
(2R)-N-[3-[[(1R)-2-(cyclopropylamino)-2-oxo-1-phenylethyl]amino]phenyl]-2-methoxypropanamide
CID 52507919
2-(5-acetamido-2-methoxyanilino)-N-cyclopropyl-2-phenylacetamide
CID 17428047
(2S)-2-formamido-N-[4-[[(2R)-2-formamido-2-phenylacetyl]amino]cyclohexyl]-2-phenylacetamide
CID 167001986

Frequently Asked Questions

What is the IUPAC name of 2-(4-tert-butylanilino)-N-cyclopropyl-2-phenylacetamide?
The IUPAC name of 2-(4-tert-butylanilino)-N-cyclopropyl-2-phenylacetamide (CID 60597929) is 2-(4-tert-butylanilino)-N-cyclopropyl-2-phenylacetamide.
What is the SMILES notation for 2-(4-tert-butylanilino)-N-cyclopropyl-2-phenylacetamide?
The canonical SMILES for 2-(4-tert-butylanilino)-N-cyclopropyl-2-phenylacetamide is CC(C)(C)c1ccc(NC(C(=O)NC2CC2)c2ccccc2)cc1.
What is the InChIKey of 2-(4-tert-butylanilino)-N-cyclopropyl-2-phenylacetamide?
The InChIKey is IOOSVASQDCSEOG-UHFFFAOYSA-N. The full InChI is InChI=1S/C21H26N2O/c1-21(2,3)16-9-11-17(12-10-16)22-19(15-7-5-4-6-8-15)20(24)23-18-13-14-18/h4-12,18-19,22H,13-14H2,1-3H3,(H,23,24).
What are the key properties of 2-(4-tert-butylanilino)-N-cyclopropyl-2-phenylacetamide?
2-(4-tert-butylanilino)-N-cyclopropyl-2-phenylacetamide has a molecular weight of 322.45 g/mol, XLogP of 4.42, 5 rotatable bonds, 2 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 2-(4-tert-butylanilino)-N-cyclopropyl-2-phenylacetamide is sourced from PubChem (CID 60597929), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).