N-[(1S)-1-(4-tert-butylphenyl)-2-methylpropyl]cyclobutanecarboxamide

C19H29NO — CID 30906945

IUPACN-[(1S)-1-(4-tert-butylphenyl)-2-methylpropyl]cyclobutanecarboxamide
SMILESCC(C)[C@H](NC(=O)C1CCC1)c1ccc(C(C)(C)C)cc1
InChIInChI=1S/C19H29NO/c1-13(2)17(20-18(21)15-7-6-8-15)14-9-11-16(12-10-14)19(3,4)5/h9-13,15,17H,6-8H2,1-5H3,(H,20,21)/t17-/m0/s1
InChIKeyGUJRFESAOUAVHA-KRWDZBQOSA-N
MW287.45 g/mol
LogP4.60
Rot. Bonds4

About N-[(1S)-1-(4-tert-butylphenyl)-2-methylpropyl]cyclobutanecarboxamide

N-[(1S)-1-(4-tert-butylphenyl)-2-methylpropyl]cyclobutanecarboxamide (PubChem CID 30906945) has the molecular formula C19H29NO and a molecular weight of 287.45 g/mol. Its IUPAC name is N-[(1S)-1-(4-tert-butylphenyl)-2-methylpropyl]cyclobutanecarboxamide.

Molecular Properties

Compound NameN-[(1S)-1-(4-tert-butylphenyl)-2-methylpropyl]cyclobutanecarboxamide
PubChem CID30906945
Molecular FormulaC19H29NO
Molecular Weight287.45 g/mol
Exact Mass287.22
IUPAC NameN-[(1S)-1-(4-tert-butylphenyl)-2-methylpropyl]cyclobutanecarboxamide
SMILESCC(C)[C@H](NC(=O)C1CCC1)c1ccc(C(C)(C)C)cc1
InChIInChI=1S/C19H29NO/c1-13(2)17(20-18(21)15-7-6-8-15)14-9-11-16(12-10-14)19(3,4)5/h9-13,15,17H,6-8H2,1-5H3,(H,20,21)/t17-/m0/s1
InChIKeyGUJRFESAOUAVHA-KRWDZBQOSA-N
XLogP4.60
TPSA29.10 Ų
H-Bond Donors1
H-Bond Acceptors1
Rotatable Bonds4
Heavy Atoms21
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500287.45
LogP ≤ 54.60
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 101

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Related Compounds

4-N-[1-(4-tert-butylphenyl)-2-methylpropyl]-1-N,1-N-dimethylpiperidine-1,4-dicarboxamide
CID 55647270
N-[1-[4-(hydroxycarbamoyl)phenyl]-2-methylpropyl]cycloheptanecarboxamide
CID 58417181
2-hydroxy-N-[2-methyl-1-[4-(trifluoromethyl)phenyl]propyl]cyclopentane-1-carboxamide
CID 110016521
N-[1-(4-tert-butylphenyl)-2-methylpropyl]azetidine-1-carboxamide
CID 71900527
4-amino-N-[1-(4-fluorophenyl)-2-methylpropyl]cyclohexane-1-carboxamide
CID 60848343
(2S,4S)-2-methyl-N-[2-methyl-1-[4-(trifluoromethyl)phenyl]propyl]piperidine-4-carboxamide;hydrochloride
CID 120639730
(2R)-2-[[(1R)-1-(4-tert-butylphenyl)-2-methylpropyl]amino]-N-cyclopropylpropanamide
CID 9129614
3-N-[2-methyl-1-(4-propan-2-ylphenyl)propyl]piperidine-1,3-dicarboxamide
CID 43022867
N-[1-(4-methoxyphenyl)-2-methylpropyl]piperidine-3-carboxamide
CID 119273380
N-[(1S)-1-(4-bromophenyl)ethyl]cyclobutanecarboxamide
CID 800129
N-[2-methyl-1-(4-propylphenyl)propyl]piperidine-4-carboxamide
CID 119273047
methyl (2R,3R)-3-(cyclobutanecarbonylamino)-2-methoxy-3-phenylpropanoate
CID 58631028

Frequently Asked Questions

What is the IUPAC name of N-[(1S)-1-(4-tert-butylphenyl)-2-methylpropyl]cyclobutanecarboxamide?
The IUPAC name of N-[(1S)-1-(4-tert-butylphenyl)-2-methylpropyl]cyclobutanecarboxamide (CID 30906945) is N-[(1S)-1-(4-tert-butylphenyl)-2-methylpropyl]cyclobutanecarboxamide.
What is the SMILES notation for N-[(1S)-1-(4-tert-butylphenyl)-2-methylpropyl]cyclobutanecarboxamide?
The canonical SMILES for N-[(1S)-1-(4-tert-butylphenyl)-2-methylpropyl]cyclobutanecarboxamide is CC(C)[C@H](NC(=O)C1CCC1)c1ccc(C(C)(C)C)cc1.
What is the InChIKey of N-[(1S)-1-(4-tert-butylphenyl)-2-methylpropyl]cyclobutanecarboxamide?
The InChIKey is GUJRFESAOUAVHA-KRWDZBQOSA-N. The full InChI is InChI=1S/C19H29NO/c1-13(2)17(20-18(21)15-7-6-8-15)14-9-11-16(12-10-14)19(3,4)5/h9-13,15,17H,6-8H2,1-5H3,(H,20,21)/t17-/m0/s1.
What are the key properties of N-[(1S)-1-(4-tert-butylphenyl)-2-methylpropyl]cyclobutanecarboxamide?
N-[(1S)-1-(4-tert-butylphenyl)-2-methylpropyl]cyclobutanecarboxamide has a molecular weight of 287.45 g/mol, XLogP of 4.60, 4 rotatable bonds, 1 hydrogen bond donors, and 1 hydrogen bond acceptors.
Where does this data come from?
All data for N-[(1S)-1-(4-tert-butylphenyl)-2-methylpropyl]cyclobutanecarboxamide is sourced from PubChem (CID 30906945), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).