N-[2-(4-tert-butylanilino)-2-oxoethyl]cyclopropanecarboxamide

C16H22N2O2 — CID 110687174

IUPACN-[2-(4-tert-butylanilino)-2-oxoethyl]cyclopropanecarboxamide
SMILESCC(C)(C)c1ccc(NC(=O)CNC(=O)C2CC2)cc1
InChIInChI=1S/C16H22N2O2/c1-16(2,3)12-6-8-13(9-7-12)18-14(19)10-17-15(20)11-4-5-11/h6-9,11H,4-5,10H2,1-3H3,(H,17,20)(H,18,19)
InChIKeyUCCNWCMEZWVRFY-UHFFFAOYSA-N
MW274.36 g/mol
LogP2.45
Rot. Bonds4

About N-[2-(4-tert-butylanilino)-2-oxoethyl]cyclopropanecarboxamide

N-[2-(4-tert-butylanilino)-2-oxoethyl]cyclopropanecarboxamide (PubChem CID 110687174) has the molecular formula C16H22N2O2 and a molecular weight of 274.36 g/mol. Its IUPAC name is N-[2-(4-tert-butylanilino)-2-oxoethyl]cyclopropanecarboxamide.

Molecular Properties

Compound NameN-[2-(4-tert-butylanilino)-2-oxoethyl]cyclopropanecarboxamide
PubChem CID110687174
Molecular FormulaC16H22N2O2
Molecular Weight274.36 g/mol
Exact Mass274.17
IUPAC NameN-[2-(4-tert-butylanilino)-2-oxoethyl]cyclopropanecarboxamide
SMILESCC(C)(C)c1ccc(NC(=O)CNC(=O)C2CC2)cc1
InChIInChI=1S/C16H22N2O2/c1-16(2,3)12-6-8-13(9-7-12)18-14(19)10-17-15(20)11-4-5-11/h6-9,11H,4-5,10H2,1-3H3,(H,17,20)(H,18,19)
InChIKeyUCCNWCMEZWVRFY-UHFFFAOYSA-N
XLogP2.45
TPSA58.20 Ų
H-Bond Donors2
H-Bond Acceptors2
Rotatable Bonds4
Heavy Atoms20
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500274.36
LogP ≤ 52.45
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 102

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Related Compounds

N-[2-(4-tert-butylanilino)-2-oxoethyl]oxane-4-carboxamide
CID 112997593
4-tert-butyl-N-[2-[4-(cyclopropanecarbonylamino)anilino]-2-oxoethyl]benzamide
CID 26058928
N-[2-(4-methylanilino)-2-oxoethyl]cyclopropanecarboxamide
CID 46410880
N-[3-[[2-(4-tert-butylanilino)-2-oxoethyl]amino]-4-methylphenyl]cyclopropanecarboxamide
CID 55898202
N-[2-(4-tert-butylanilino)-2-oxoethyl]-2,2-dimethylpropanamide
CID 36860148
N-[4-[[2-(4-tert-butylphenyl)sulfanylacetyl]amino]phenyl]cyclopropanecarboxamide
CID 26059347
N-[2-(3,4-dimethoxyanilino)-2-oxoethyl]cyclopropanecarboxamide
CID 110687188
N-[2-oxo-2-(4-propan-2-ylanilino)ethyl]cyclohexanecarboxamide
CID 112997174
N-[2-[2-(4-tert-butylbenzoyl)hydrazinyl]-2-oxoethyl]cyclohexanecarboxamide
CID 4925439
N-[2-(4-tert-butylanilino)-2-oxoethyl]-2-phenylacetamide
CID 27258908
1-N-(4-tert-butylphenyl)-4-N,4-N-diethylcyclohexane-1,4-dicarboxamide
CID 109149437
N-[4-(2-hydroxypropan-2-yl)phenyl]cyclopropanecarboxamide
CID 167978229

Frequently Asked Questions

What is the IUPAC name of N-[2-(4-tert-butylanilino)-2-oxoethyl]cyclopropanecarboxamide?
The IUPAC name of N-[2-(4-tert-butylanilino)-2-oxoethyl]cyclopropanecarboxamide (CID 110687174) is N-[2-(4-tert-butylanilino)-2-oxoethyl]cyclopropanecarboxamide.
What is the SMILES notation for N-[2-(4-tert-butylanilino)-2-oxoethyl]cyclopropanecarboxamide?
The canonical SMILES for N-[2-(4-tert-butylanilino)-2-oxoethyl]cyclopropanecarboxamide is CC(C)(C)c1ccc(NC(=O)CNC(=O)C2CC2)cc1.
What is the InChIKey of N-[2-(4-tert-butylanilino)-2-oxoethyl]cyclopropanecarboxamide?
The InChIKey is UCCNWCMEZWVRFY-UHFFFAOYSA-N. The full InChI is InChI=1S/C16H22N2O2/c1-16(2,3)12-6-8-13(9-7-12)18-14(19)10-17-15(20)11-4-5-11/h6-9,11H,4-5,10H2,1-3H3,(H,17,20)(H,18,19).
What are the key properties of N-[2-(4-tert-butylanilino)-2-oxoethyl]cyclopropanecarboxamide?
N-[2-(4-tert-butylanilino)-2-oxoethyl]cyclopropanecarboxamide has a molecular weight of 274.36 g/mol, XLogP of 2.45, 4 rotatable bonds, 2 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for N-[2-(4-tert-butylanilino)-2-oxoethyl]cyclopropanecarboxamide is sourced from PubChem (CID 110687174), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).