N-[4-[1-(butan-2-ylcarbamoyl)cyclopropyl]phenyl]-4-methoxybenzamide

C22H26N2O3 — CID 50821478

IUPACN-[4-[1-(butan-2-ylcarbamoyl)cyclopropyl]phenyl]-4-methoxybenzamide
SMILESCCC(C)NC(=O)C1(c2ccc(NC(=O)c3ccc(OC)cc3)cc2)CC1
InChIInChI=1S/C22H26N2O3/c1-4-15(2)23-21(26)22(13-14-22)17-7-9-18(10-8-17)24-20(25)16-5-11-19(27-3)12-6-16/h5-12,15H,4,13-14H2,1-3H3,(H,23,26)(H,24,25)
InChIKeyFRGHCPMGGQMMGO-UHFFFAOYSA-N
MW366.46 g/mol
LogP3.89
Rot. Bonds7

About N-[4-[1-(butan-2-ylcarbamoyl)cyclopropyl]phenyl]-4-methoxybenzamide

N-[4-[1-(butan-2-ylcarbamoyl)cyclopropyl]phenyl]-4-methoxybenzamide (PubChem CID 50821478) has the molecular formula C22H26N2O3 and a molecular weight of 366.46 g/mol. Its IUPAC name is N-[4-[1-(butan-2-ylcarbamoyl)cyclopropyl]phenyl]-4-methoxybenzamide.

Molecular Properties

Compound NameN-[4-[1-(butan-2-ylcarbamoyl)cyclopropyl]phenyl]-4-methoxybenzamide
PubChem CID50821478
Molecular FormulaC22H26N2O3
Molecular Weight366.46 g/mol
Exact Mass366.19
IUPAC NameN-[4-[1-(butan-2-ylcarbamoyl)cyclopropyl]phenyl]-4-methoxybenzamide
SMILESCCC(C)NC(=O)C1(c2ccc(NC(=O)c3ccc(OC)cc3)cc2)CC1
InChIInChI=1S/C22H26N2O3/c1-4-15(2)23-21(26)22(13-14-22)17-7-9-18(10-8-17)24-20(25)16-5-11-19(27-3)12-6-16/h5-12,15H,4,13-14H2,1-3H3,(H,23,26)(H,24,25)
InChIKeyFRGHCPMGGQMMGO-UHFFFAOYSA-N
XLogP3.89
TPSA67.43 Ų
H-Bond Donors2
H-Bond Acceptors3
Rotatable Bonds7
Heavy Atoms27
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500366.46
LogP ≤ 53.89
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 103

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Related Compounds

N-[(2S)-butan-2-yl]-4-[(4-methoxybenzoyl)amino]benzamide
CID 42427383
N-[(2S)-butan-2-yl]-1-[4-[(4-methoxyphenyl)sulfonylamino]phenyl]cyclopropane-1-carboxamide
CID 92503889
N-[4-(butan-2-ylamino)phenyl]-4-methoxybenzamide
CID 112980466
1-(4-acetamidophenyl)-N-[(2R)-butan-2-yl]cyclohexane-1-carboxamide
CID 95086493
N-[(2R)-butan-2-yl]-1-[4-[(2,5-dimethoxyphenyl)sulfonylamino]phenyl]cyclopropane-1-carboxamide
CID 92895378
N-[(2S)-butan-2-yl]-1-[4-[(2,5-dimethoxyphenyl)sulfonylamino]phenyl]cyclopropane-1-carboxamide
CID 92895379
4-chloro-N-[4-[1-(propan-2-ylcarbamoyl)cyclopropyl]phenyl]benzamide
CID 50821647
N-(4-butan-2-yloxyphenyl)-4-methoxybenzamide
CID 17160544
methyl 4-[[4-(butan-2-ylcarbamoyl)phenyl]carbamoyl]benzoate
CID 17201378
N-butan-2-yl-4-[[4-(2-methylpropoxy)benzoyl]amino]benzamide
CID 17201290
N-ethyl-4-[(4-methoxybenzoyl)amino]benzamide
CID 17234279
1-butan-2-yl-3-[4-[2-(4-methoxyanilino)ethylamino]phenyl]urea
CID 130268599

Frequently Asked Questions

What is the IUPAC name of N-[4-[1-(butan-2-ylcarbamoyl)cyclopropyl]phenyl]-4-methoxybenzamide?
The IUPAC name of N-[4-[1-(butan-2-ylcarbamoyl)cyclopropyl]phenyl]-4-methoxybenzamide (CID 50821478) is N-[4-[1-(butan-2-ylcarbamoyl)cyclopropyl]phenyl]-4-methoxybenzamide.
What is the SMILES notation for N-[4-[1-(butan-2-ylcarbamoyl)cyclopropyl]phenyl]-4-methoxybenzamide?
The canonical SMILES for N-[4-[1-(butan-2-ylcarbamoyl)cyclopropyl]phenyl]-4-methoxybenzamide is CCC(C)NC(=O)C1(c2ccc(NC(=O)c3ccc(OC)cc3)cc2)CC1.
What is the InChIKey of N-[4-[1-(butan-2-ylcarbamoyl)cyclopropyl]phenyl]-4-methoxybenzamide?
The InChIKey is FRGHCPMGGQMMGO-UHFFFAOYSA-N. The full InChI is InChI=1S/C22H26N2O3/c1-4-15(2)23-21(26)22(13-14-22)17-7-9-18(10-8-17)24-20(25)16-5-11-19(27-3)12-6-16/h5-12,15H,4,13-14H2,1-3H3,(H,23,26)(H,24,25).
What are the key properties of N-[4-[1-(butan-2-ylcarbamoyl)cyclopropyl]phenyl]-4-methoxybenzamide?
N-[4-[1-(butan-2-ylcarbamoyl)cyclopropyl]phenyl]-4-methoxybenzamide has a molecular weight of 366.46 g/mol, XLogP of 3.89, 7 rotatable bonds, 2 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for N-[4-[1-(butan-2-ylcarbamoyl)cyclopropyl]phenyl]-4-methoxybenzamide is sourced from PubChem (CID 50821478), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).