N-(cyclopropylmethyl)-4-(ethylamino)benzamide

C13H18N2O — CID 62173113

IUPACN-(cyclopropylmethyl)-4-(ethylamino)benzamide
SMILESCCNc1ccc(C(=O)NCC2CC2)cc1
InChIInChI=1S/C13H18N2O/c1-2-14-12-7-5-11(6-8-12)13(16)15-9-10-3-4-10/h5-8,10,14H,2-4,9H2,1H3,(H,15,16)
InChIKeyCGXBPMZREQSDDD-UHFFFAOYSA-N
MW218.30 g/mol
LogP2.26
Rot. Bonds5

About N-(cyclopropylmethyl)-4-(ethylamino)benzamide

N-(cyclopropylmethyl)-4-(ethylamino)benzamide (PubChem CID 62173113) has the molecular formula C13H18N2O and a molecular weight of 218.30 g/mol. Its IUPAC name is N-(cyclopropylmethyl)-4-(ethylamino)benzamide.

Molecular Properties

Compound NameN-(cyclopropylmethyl)-4-(ethylamino)benzamide
PubChem CID62173113
Molecular FormulaC13H18N2O
Molecular Weight218.30 g/mol
Exact Mass218.14
IUPAC NameN-(cyclopropylmethyl)-4-(ethylamino)benzamide
SMILESCCNc1ccc(C(=O)NCC2CC2)cc1
InChIInChI=1S/C13H18N2O/c1-2-14-12-7-5-11(6-8-12)13(16)15-9-10-3-4-10/h5-8,10,14H,2-4,9H2,1H3,(H,15,16)
InChIKeyCGXBPMZREQSDDD-UHFFFAOYSA-N
XLogP2.26
TPSA41.13 Ų
H-Bond Donors2
H-Bond Acceptors2
Rotatable Bonds5
Heavy Atoms16
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500218.30
LogP ≤ 52.26
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 102

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Related Compounds

4-(ethylamino)-N-[(3-methylcyclopentyl)methyl]benzamide
CID 107415191
4-(ethylamino)-N-(oxan-3-ylmethyl)benzamide
CID 62175319
N-(cyclobutylmethyl)-4-(propylamino)benzamide
CID 62170357
ethane;N-ethyl-4-(ethylamino)benzamide;molecular hydrogen
CID 155715091
4-acetamido-N-(cyclohexylmethyl)benzamide
CID 2096141
4-(ethylamino)-3-methyl-N-[(4-methylcyclohexyl)methyl]benzamide
CID 63247733
N-[(1-methylpyrrolidin-3-yl)methyl]-4-(propylamino)benzamide
CID 62180024
4-carbamothioyl-N-(cyclopropylmethyl)benzamide
CID 24690503
4-(ethylamino)-N-(3-methoxypropyl)benzamide
CID 62167523
N-[2-[cyclopentyl(methyl)amino]ethyl]-4-(ethylamino)benzamide
CID 63316486
4-(ethylamino)-N-(4-methoxybutyl)benzamide
CID 62175950
ethyl 4-(cyclopropylmethylamino)benzoate
CID 43654962

Frequently Asked Questions

What is the IUPAC name of N-(cyclopropylmethyl)-4-(ethylamino)benzamide?
The IUPAC name of N-(cyclopropylmethyl)-4-(ethylamino)benzamide (CID 62173113) is N-(cyclopropylmethyl)-4-(ethylamino)benzamide.
What is the SMILES notation for N-(cyclopropylmethyl)-4-(ethylamino)benzamide?
The canonical SMILES for N-(cyclopropylmethyl)-4-(ethylamino)benzamide is CCNc1ccc(C(=O)NCC2CC2)cc1.
What is the InChIKey of N-(cyclopropylmethyl)-4-(ethylamino)benzamide?
The InChIKey is CGXBPMZREQSDDD-UHFFFAOYSA-N. The full InChI is InChI=1S/C13H18N2O/c1-2-14-12-7-5-11(6-8-12)13(16)15-9-10-3-4-10/h5-8,10,14H,2-4,9H2,1H3,(H,15,16).
What are the key properties of N-(cyclopropylmethyl)-4-(ethylamino)benzamide?
N-(cyclopropylmethyl)-4-(ethylamino)benzamide has a molecular weight of 218.30 g/mol, XLogP of 2.26, 5 rotatable bonds, 2 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for N-(cyclopropylmethyl)-4-(ethylamino)benzamide is sourced from PubChem (CID 62173113), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).