N-[1-[[1-(4-tert-butylphenyl)cyclobutyl]methylamino]-1-oxopropan-2-yl]cyclobutanecarboxamide

C23H34N2O2 — CID 86883136

IUPACN-[1-[[1-(4-tert-butylphenyl)cyclobutyl]methylamino]-1-oxopropan-2-yl]cyclobutanecarboxamide
SMILESCC(NC(=O)C1CCC1)C(=O)NCC1(c2ccc(C(C)(C)C)cc2)CCC1
InChIInChI=1S/C23H34N2O2/c1-16(25-21(27)17-7-5-8-17)20(26)24-15-23(13-6-14-23)19-11-9-18(10-12-19)22(2,3)4/h9-12,16-17H,5-8,13-15H2,1-4H3,(H,24,26)(H,25,27)
InChIKeyUXZVWEMZUDNYIT-UHFFFAOYSA-N
MW370.54 g/mol
LogP3.83
Rot. Bonds6

About N-[1-[[1-(4-tert-butylphenyl)cyclobutyl]methylamino]-1-oxopropan-2-yl]cyclobutanecarboxamide

N-[1-[[1-(4-tert-butylphenyl)cyclobutyl]methylamino]-1-oxopropan-2-yl]cyclobutanecarboxamide (PubChem CID 86883136) has the molecular formula C23H34N2O2 and a molecular weight of 370.54 g/mol. Its IUPAC name is N-[1-[[1-(4-tert-butylphenyl)cyclobutyl]methylamino]-1-oxopropan-2-yl]cyclobutanecarboxamide.

Molecular Properties

Compound NameN-[1-[[1-(4-tert-butylphenyl)cyclobutyl]methylamino]-1-oxopropan-2-yl]cyclobutanecarboxamide
PubChem CID86883136
Molecular FormulaC23H34N2O2
Molecular Weight370.54 g/mol
Exact Mass370.26
IUPAC NameN-[1-[[1-(4-tert-butylphenyl)cyclobutyl]methylamino]-1-oxopropan-2-yl]cyclobutanecarboxamide
SMILESCC(NC(=O)C1CCC1)C(=O)NCC1(c2ccc(C(C)(C)C)cc2)CCC1
InChIInChI=1S/C23H34N2O2/c1-16(25-21(27)17-7-5-8-17)20(26)24-15-23(13-6-14-23)19-11-9-18(10-12-19)22(2,3)4/h9-12,16-17H,5-8,13-15H2,1-4H3,(H,24,26)(H,25,27)
InChIKeyUXZVWEMZUDNYIT-UHFFFAOYSA-N
XLogP3.83
TPSA58.20 Ų
H-Bond Donors2
H-Bond Acceptors2
Rotatable Bonds6
Heavy Atoms27
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500370.54
LogP ≤ 53.83
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 102

Analyze N-[1-[[1-(4-tert-butylphenyl)cyclobutyl]methylamino]-1-oxopropan-2-yl]cyclobutanecarboxamide with MolForge

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Related Compounds

N-[[1-(4-tert-butylphenyl)cyclobutyl]methyl]-2-methylpropan-1-amine
CID 63509925
4-amino-N-[[1-(4-tert-butylphenyl)cyclobutyl]methyl]butanamide
CID 119312423
N-[(1S)-1-(4-tert-butylphenyl)-2-methylpropyl]cyclobutanecarboxamide
CID 30906945
(2R)-2-amino-N-[[1-(4-bromophenyl)cyclobutyl]methyl]propanamide;hydrochloride
CID 119301081
N-[(2S)-1-[[(1S,2S)-2-tert-butylcyclohexyl]amino]-1-oxopropan-2-yl]cyclobutanecarboxamide
CID 124857090
N-[[1-(4-tert-butylphenyl)cyclobutyl]methyl]-2-sulfanylidene-1H-pyridine-3-carboxamide
CID 99634265
N-[[1-(4-methoxyphenyl)cyclobutyl]methyl]-2-methylpropanamide
CID 110478485
N-[(1-phenylcyclopentyl)methyl]cyclohexanecarboxamide
CID 18128273
N-[[1-(4-chlorophenyl)cyclopentyl]methyl]-1-(2-methylpropanoyl)piperidine-4-carboxamide
CID 60573636
N-[1-(cyclopentylamino)-1-oxopropan-2-yl]cyclobutanecarboxamide
CID 47400512
N-[[1-(4-fluorophenyl)cyclobutyl]methyl]piperidine-4-carboxamide
CID 119310492
(2R)-2-amino-N-[[1-(4-propan-2-ylphenyl)cyclopentyl]methyl]propanamide
CID 119321524

Frequently Asked Questions

What is the IUPAC name of N-[1-[[1-(4-tert-butylphenyl)cyclobutyl]methylamino]-1-oxopropan-2-yl]cyclobutanecarboxamide?
The IUPAC name of N-[1-[[1-(4-tert-butylphenyl)cyclobutyl]methylamino]-1-oxopropan-2-yl]cyclobutanecarboxamide (CID 86883136) is N-[1-[[1-(4-tert-butylphenyl)cyclobutyl]methylamino]-1-oxopropan-2-yl]cyclobutanecarboxamide.
What is the SMILES notation for N-[1-[[1-(4-tert-butylphenyl)cyclobutyl]methylamino]-1-oxopropan-2-yl]cyclobutanecarboxamide?
The canonical SMILES for N-[1-[[1-(4-tert-butylphenyl)cyclobutyl]methylamino]-1-oxopropan-2-yl]cyclobutanecarboxamide is CC(NC(=O)C1CCC1)C(=O)NCC1(c2ccc(C(C)(C)C)cc2)CCC1.
What is the InChIKey of N-[1-[[1-(4-tert-butylphenyl)cyclobutyl]methylamino]-1-oxopropan-2-yl]cyclobutanecarboxamide?
The InChIKey is UXZVWEMZUDNYIT-UHFFFAOYSA-N. The full InChI is InChI=1S/C23H34N2O2/c1-16(25-21(27)17-7-5-8-17)20(26)24-15-23(13-6-14-23)19-11-9-18(10-12-19)22(2,3)4/h9-12,16-17H,5-8,13-15H2,1-4H3,(H,24,26)(H,25,27).
What are the key properties of N-[1-[[1-(4-tert-butylphenyl)cyclobutyl]methylamino]-1-oxopropan-2-yl]cyclobutanecarboxamide?
N-[1-[[1-(4-tert-butylphenyl)cyclobutyl]methylamino]-1-oxopropan-2-yl]cyclobutanecarboxamide has a molecular weight of 370.54 g/mol, XLogP of 3.83, 6 rotatable bonds, 2 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for N-[1-[[1-(4-tert-butylphenyl)cyclobutyl]methylamino]-1-oxopropan-2-yl]cyclobutanecarboxamide is sourced from PubChem (CID 86883136), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).