N-benzyl-4-[(2-methylcyclopropanecarbonyl)amino]-N-propylbenzamide

C22H26N2O2 — CID 55651793

IUPACN-benzyl-4-[(2-methylcyclopropanecarbonyl)amino]-N-propylbenzamide
SMILESCCCN(Cc1ccccc1)C(=O)c1ccc(NC(=O)C2CC2C)cc1
InChIInChI=1S/C22H26N2O2/c1-3-13-24(15-17-7-5-4-6-8-17)22(26)18-9-11-19(12-10-18)23-21(25)20-14-16(20)2/h4-12,16,20H,3,13-15H2,1-2H3,(H,23,25)
InChIKeyUHDHQULFGUBGQE-UHFFFAOYSA-N
MW350.46 g/mol
LogP4.33
Rot. Bonds7

About N-benzyl-4-[(2-methylcyclopropanecarbonyl)amino]-N-propylbenzamide

N-benzyl-4-[(2-methylcyclopropanecarbonyl)amino]-N-propylbenzamide (PubChem CID 55651793) has the molecular formula C22H26N2O2 and a molecular weight of 350.46 g/mol. Its IUPAC name is N-benzyl-4-[(2-methylcyclopropanecarbonyl)amino]-N-propylbenzamide.

Molecular Properties

Compound NameN-benzyl-4-[(2-methylcyclopropanecarbonyl)amino]-N-propylbenzamide
PubChem CID55651793
Molecular FormulaC22H26N2O2
Molecular Weight350.46 g/mol
Exact Mass350.20
IUPAC NameN-benzyl-4-[(2-methylcyclopropanecarbonyl)amino]-N-propylbenzamide
SMILESCCCN(Cc1ccccc1)C(=O)c1ccc(NC(=O)C2CC2C)cc1
InChIInChI=1S/C22H26N2O2/c1-3-13-24(15-17-7-5-4-6-8-17)22(26)18-9-11-19(12-10-18)23-21(25)20-14-16(20)2/h4-12,16,20H,3,13-15H2,1-2H3,(H,23,25)
InChIKeyUHDHQULFGUBGQE-UHFFFAOYSA-N
XLogP4.33
TPSA49.41 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds7
Heavy Atoms26
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500350.46
LogP ≤ 54.33
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 102

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Related Compounds

2-[[4-(dipropylcarbamoyl)phenyl]carbamoyl]cyclobutane-1-carboxylic acid
CID 120974818
2-[methyl-[4-[(2-methylcyclopropanecarbonyl)amino]benzoyl]amino]acetic acid
CID 119136419
2-[2-methoxyethyl-[4-[(2-methylcyclopropanecarbonyl)amino]benzoyl]amino]acetic acid
CID 119189237
4-(cyclopropanecarbonylamino)-N,N-dipropylbenzamide
CID 17196138
N-[(4-ethoxyphenyl)methyl]-N-methyl-4-[(2-methylcyclopropanecarbonyl)amino]benzamide
CID 55650557
1-benzyl-3-phenyl-1-propylurea
CID 78786424
(2S)-N-[4-[[benzyl(propyl)carbamoyl]amino]phenyl]oxolane-2-carboxamide
CID 51945893
4-benzamido-N-[(4-cyanophenyl)methyl]-N-propylbenzamide
CID 55593914
4-(cyclohexanecarbonylamino)-N,N-dipropylbenzamide
CID 17196139
3-[ethyl-[3-[(2-methylcyclopropanecarbonyl)amino]benzoyl]amino]propanoic acid
CID 119190959
N-benzyl-N-ethyl-4-(propanoylamino)benzamide
CID 17257316
N-benzyl-3,5-dibromo-N-propylbenzamide
CID 107980144

Frequently Asked Questions

What is the IUPAC name of N-benzyl-4-[(2-methylcyclopropanecarbonyl)amino]-N-propylbenzamide?
The IUPAC name of N-benzyl-4-[(2-methylcyclopropanecarbonyl)amino]-N-propylbenzamide (CID 55651793) is N-benzyl-4-[(2-methylcyclopropanecarbonyl)amino]-N-propylbenzamide.
What is the SMILES notation for N-benzyl-4-[(2-methylcyclopropanecarbonyl)amino]-N-propylbenzamide?
The canonical SMILES for N-benzyl-4-[(2-methylcyclopropanecarbonyl)amino]-N-propylbenzamide is CCCN(Cc1ccccc1)C(=O)c1ccc(NC(=O)C2CC2C)cc1.
What is the InChIKey of N-benzyl-4-[(2-methylcyclopropanecarbonyl)amino]-N-propylbenzamide?
The InChIKey is UHDHQULFGUBGQE-UHFFFAOYSA-N. The full InChI is InChI=1S/C22H26N2O2/c1-3-13-24(15-17-7-5-4-6-8-17)22(26)18-9-11-19(12-10-18)23-21(25)20-14-16(20)2/h4-12,16,20H,3,13-15H2,1-2H3,(H,23,25).
What are the key properties of N-benzyl-4-[(2-methylcyclopropanecarbonyl)amino]-N-propylbenzamide?
N-benzyl-4-[(2-methylcyclopropanecarbonyl)amino]-N-propylbenzamide has a molecular weight of 350.46 g/mol, XLogP of 4.33, 7 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for N-benzyl-4-[(2-methylcyclopropanecarbonyl)amino]-N-propylbenzamide is sourced from PubChem (CID 55651793), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).