N-(3-methoxypropyl)-4-[(2-methylcyclopropanecarbonyl)amino]benzamide

C16H22N2O3 — CID 46437430

IUPACN-(3-methoxypropyl)-4-[(2-methylcyclopropanecarbonyl)amino]benzamide
SMILESCOCCCNC(=O)c1ccc(NC(=O)C2CC2C)cc1
InChIInChI=1S/C16H22N2O3/c1-11-10-14(11)16(20)18-13-6-4-12(5-7-13)15(19)17-8-3-9-21-2/h4-7,11,14H,3,8-10H2,1-2H3,(H,17,19)(H,18,20)
InChIKeyOZWOKJNSVOTPIV-UHFFFAOYSA-N
MW290.36 g/mol
LogP2.05
Rot. Bonds7

About N-(3-methoxypropyl)-4-[(2-methylcyclopropanecarbonyl)amino]benzamide

N-(3-methoxypropyl)-4-[(2-methylcyclopropanecarbonyl)amino]benzamide (PubChem CID 46437430) has the molecular formula C16H22N2O3 and a molecular weight of 290.36 g/mol. Its IUPAC name is N-(3-methoxypropyl)-4-[(2-methylcyclopropanecarbonyl)amino]benzamide.

Molecular Properties

Compound NameN-(3-methoxypropyl)-4-[(2-methylcyclopropanecarbonyl)amino]benzamide
PubChem CID46437430
Molecular FormulaC16H22N2O3
Molecular Weight290.36 g/mol
Exact Mass290.16
IUPAC NameN-(3-methoxypropyl)-4-[(2-methylcyclopropanecarbonyl)amino]benzamide
SMILESCOCCCNC(=O)c1ccc(NC(=O)C2CC2C)cc1
InChIInChI=1S/C16H22N2O3/c1-11-10-14(11)16(20)18-13-6-4-12(5-7-13)15(19)17-8-3-9-21-2/h4-7,11,14H,3,8-10H2,1-2H3,(H,17,19)(H,18,20)
InChIKeyOZWOKJNSVOTPIV-UHFFFAOYSA-N
XLogP2.05
TPSA67.43 Ų
H-Bond Donors2
H-Bond Acceptors3
Rotatable Bonds7
Heavy Atoms21
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500290.36
LogP ≤ 52.05
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 103

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'Aliphatic_long_chain', 'substructure': 'N/A'}

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Related Compounds

N-(2-methoxyethyl)-4-[(2-methylcyclopropanecarbonyl)amino]benzamide
CID 46430343
2-N-(3-methoxypropyl)-1-N-(4-methylphenyl)cyclopropane-1,2-dicarboxamide
CID 109133163
N-[3-(benzenesulfonyl)propyl]-4-[(2-methylcyclopropanecarbonyl)amino]benzamide
CID 60593361
N,N'-bis[4-(3-methoxypropylcarbamoyl)phenyl]pentanediamide
CID 17205407
2-N-(3-methoxypropyl)-1-N-phenylcyclopropane-1,2-dicarboxamide
CID 109133160
methyl 4-[[(1S,2R)-2-methylcyclopropanecarbonyl]amino]benzoate
CID 7741315
4-N-(4-chlorophenyl)-1-N-(3-methoxypropyl)benzene-1,4-dicarboxamide
CID 109045341
4-methoxy-2-[[4-[(2-methylcyclopropanecarbonyl)amino]benzoyl]amino]butanoic acid
CID 120702208
N-[(3,5-dimethoxyphenyl)methyl]-4-[(2-methylcyclopropanecarbonyl)amino]benzamide
CID 46439035
2-[2-methoxyethyl-[4-[(2-methylcyclopropanecarbonyl)amino]benzoyl]amino]acetic acid
CID 119189237
N-(3-methoxypropyl)-4-[[2-(3-methoxypropylamino)acetyl]amino]benzamide
CID 54828874
4-acetamido-N-[3-(2-methoxyethoxy)propyl]benzamide
CID 134029617

Frequently Asked Questions

What is the IUPAC name of N-(3-methoxypropyl)-4-[(2-methylcyclopropanecarbonyl)amino]benzamide?
The IUPAC name of N-(3-methoxypropyl)-4-[(2-methylcyclopropanecarbonyl)amino]benzamide (CID 46437430) is N-(3-methoxypropyl)-4-[(2-methylcyclopropanecarbonyl)amino]benzamide.
What is the SMILES notation for N-(3-methoxypropyl)-4-[(2-methylcyclopropanecarbonyl)amino]benzamide?
The canonical SMILES for N-(3-methoxypropyl)-4-[(2-methylcyclopropanecarbonyl)amino]benzamide is COCCCNC(=O)c1ccc(NC(=O)C2CC2C)cc1.
What is the InChIKey of N-(3-methoxypropyl)-4-[(2-methylcyclopropanecarbonyl)amino]benzamide?
The InChIKey is OZWOKJNSVOTPIV-UHFFFAOYSA-N. The full InChI is InChI=1S/C16H22N2O3/c1-11-10-14(11)16(20)18-13-6-4-12(5-7-13)15(19)17-8-3-9-21-2/h4-7,11,14H,3,8-10H2,1-2H3,(H,17,19)(H,18,20).
What are the key properties of N-(3-methoxypropyl)-4-[(2-methylcyclopropanecarbonyl)amino]benzamide?
N-(3-methoxypropyl)-4-[(2-methylcyclopropanecarbonyl)amino]benzamide has a molecular weight of 290.36 g/mol, XLogP of 2.05, 7 rotatable bonds, 2 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for N-(3-methoxypropyl)-4-[(2-methylcyclopropanecarbonyl)amino]benzamide is sourced from PubChem (CID 46437430), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).