N-[3-[(2R,6S)-2-butyl-6-cyclopropylmorpholine-4-carbonyl]phenyl]cyclobutanecarboxamide

C23H32N2O3 — CID 134699558

IUPACN-[3-[(2R,6S)-2-butyl-6-cyclopropylmorpholine-4-carbonyl]phenyl]cyclobutanecarboxamide
SMILESCCCC[C@@H]1CN(C(=O)c2cccc(NC(=O)C3CCC3)c2)C[C@H](C2CC2)O1
InChIInChI=1S/C23H32N2O3/c1-2-3-10-20-14-25(15-21(28-20)16-11-12-16)23(27)18-8-5-9-19(13-18)24-22(26)17-6-4-7-17/h5,8-9,13,16-17,20-21H,2-4,6-7,10-12,14-15H2,1H3,(H,24,26)/t20-,21-/m1/s1
InChIKeyBZSJRFJFQHNHJN-NHCUHLMSSA-N
MW384.52 g/mol
LogP4.24
Rot. Bonds7

About N-[3-[(2R,6S)-2-butyl-6-cyclopropylmorpholine-4-carbonyl]phenyl]cyclobutanecarboxamide

N-[3-[(2R,6S)-2-butyl-6-cyclopropylmorpholine-4-carbonyl]phenyl]cyclobutanecarboxamide (PubChem CID 134699558) has the molecular formula C23H32N2O3 and a molecular weight of 384.52 g/mol. Its IUPAC name is N-[3-[(2R,6S)-2-butyl-6-cyclopropylmorpholine-4-carbonyl]phenyl]cyclobutanecarboxamide.

Molecular Properties

Compound NameN-[3-[(2R,6S)-2-butyl-6-cyclopropylmorpholine-4-carbonyl]phenyl]cyclobutanecarboxamide
PubChem CID134699558
Molecular FormulaC23H32N2O3
Molecular Weight384.52 g/mol
Exact Mass384.24
IUPAC NameN-[3-[(2R,6S)-2-butyl-6-cyclopropylmorpholine-4-carbonyl]phenyl]cyclobutanecarboxamide
SMILESCCCC[C@@H]1CN(C(=O)c2cccc(NC(=O)C3CCC3)c2)C[C@H](C2CC2)O1
InChIInChI=1S/C23H32N2O3/c1-2-3-10-20-14-25(15-21(28-20)16-11-12-16)23(27)18-8-5-9-19(13-18)24-22(26)17-6-4-7-17/h5,8-9,13,16-17,20-21H,2-4,6-7,10-12,14-15H2,1H3,(H,24,26)/t20-,21-/m1/s1
InChIKeyBZSJRFJFQHNHJN-NHCUHLMSSA-N
XLogP4.24
TPSA58.64 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds7
Heavy Atoms28
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500384.52
LogP ≤ 54.24
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

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Related Compounds

N-[3-(3-hydroxypiperidine-1-carbonyl)phenyl]cyclobutanecarboxamide
CID 110930987
N-(3-acetylphenyl)-4-butylcyclohexane-1-carboxamide
CID 19206974
N-[3-(3-methylpiperidine-1-carbonyl)phenyl]cyclopropanecarboxamide
CID 51149495
N-[3-[3-(methylaminomethyl)pyrrolidine-1-carbonyl]phenyl]cyclohexanecarboxamide;hydrochloride
CID 119541694
ethyl 1-[3-(cyclopropanecarbonylamino)benzoyl]piperidine-3-carboxylate
CID 47005233
2-[4-[3-(cyclopropanecarbonylamino)benzoyl]morpholin-2-yl]acetic acid
CID 119247768
N-[3-[4-(2-morpholin-4-yl-2-oxoacetyl)piperazine-1-carbonyl]phenyl]cyclohexanecarboxamide
CID 55649623
butyl 3-[(3-acetylphenyl)carbamoyl]piperidine-1-carboxylate
CID 174880459
N-(3-acetylphenyl)-1-butylsulfonylpiperidine-4-carboxamide
CID 113007849
N-[3-[4-[2-oxo-2-(propan-2-ylamino)ethyl]piperazine-1-carbonyl]phenyl]cyclohexanecarboxamide
CID 55650668
N-[3-(2,6-dimethylmorpholine-4-carbonyl)phenyl]-4-(propan-2-ylsulfonylamino)cyclohexane-1-carboxamide
CID 20629623
methyl 1-[3-(cyclopropanecarbonylamino)benzoyl]piperidine-4-carboxylate
CID 51153861

Frequently Asked Questions

What is the IUPAC name of N-[3-[(2R,6S)-2-butyl-6-cyclopropylmorpholine-4-carbonyl]phenyl]cyclobutanecarboxamide?
The IUPAC name of N-[3-[(2R,6S)-2-butyl-6-cyclopropylmorpholine-4-carbonyl]phenyl]cyclobutanecarboxamide (CID 134699558) is N-[3-[(2R,6S)-2-butyl-6-cyclopropylmorpholine-4-carbonyl]phenyl]cyclobutanecarboxamide.
What is the SMILES notation for N-[3-[(2R,6S)-2-butyl-6-cyclopropylmorpholine-4-carbonyl]phenyl]cyclobutanecarboxamide?
The canonical SMILES for N-[3-[(2R,6S)-2-butyl-6-cyclopropylmorpholine-4-carbonyl]phenyl]cyclobutanecarboxamide is CCCC[C@@H]1CN(C(=O)c2cccc(NC(=O)C3CCC3)c2)C[C@H](C2CC2)O1.
What is the InChIKey of N-[3-[(2R,6S)-2-butyl-6-cyclopropylmorpholine-4-carbonyl]phenyl]cyclobutanecarboxamide?
The InChIKey is BZSJRFJFQHNHJN-NHCUHLMSSA-N. The full InChI is InChI=1S/C23H32N2O3/c1-2-3-10-20-14-25(15-21(28-20)16-11-12-16)23(27)18-8-5-9-19(13-18)24-22(26)17-6-4-7-17/h5,8-9,13,16-17,20-21H,2-4,6-7,10-12,14-15H2,1H3,(H,24,26)/t20-,21-/m1/s1.
What are the key properties of N-[3-[(2R,6S)-2-butyl-6-cyclopropylmorpholine-4-carbonyl]phenyl]cyclobutanecarboxamide?
N-[3-[(2R,6S)-2-butyl-6-cyclopropylmorpholine-4-carbonyl]phenyl]cyclobutanecarboxamide has a molecular weight of 384.52 g/mol, XLogP of 4.24, 7 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for N-[3-[(2R,6S)-2-butyl-6-cyclopropylmorpholine-4-carbonyl]phenyl]cyclobutanecarboxamide is sourced from PubChem (CID 134699558), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).