N-[4-[cyclopropylmethyl(propyl)amino]-4-oxobutyl]benzamide

C18H26N2O2 — CID 78794772

IUPACN-[4-[cyclopropylmethyl(propyl)amino]-4-oxobutyl]benzamide
SMILESCCCN(CC1CC1)C(=O)CCCNC(=O)c1ccccc1
InChIInChI=1S/C18H26N2O2/c1-2-13-20(14-15-10-11-15)17(21)9-6-12-19-18(22)16-7-4-3-5-8-16/h3-5,7-8,15H,2,6,9-14H2,1H3,(H,19,22)
InChIKeyNCKYXNAHRFAUIW-UHFFFAOYSA-N
MW302.42 g/mol
LogP2.85
Rot. Bonds9

About N-[4-[cyclopropylmethyl(propyl)amino]-4-oxobutyl]benzamide

N-[4-[cyclopropylmethyl(propyl)amino]-4-oxobutyl]benzamide (PubChem CID 78794772) has the molecular formula C18H26N2O2 and a molecular weight of 302.42 g/mol. Its IUPAC name is N-[4-[cyclopropylmethyl(propyl)amino]-4-oxobutyl]benzamide.

Molecular Properties

Compound NameN-[4-[cyclopropylmethyl(propyl)amino]-4-oxobutyl]benzamide
PubChem CID78794772
Molecular FormulaC18H26N2O2
Molecular Weight302.42 g/mol
Exact Mass302.20
IUPAC NameN-[4-[cyclopropylmethyl(propyl)amino]-4-oxobutyl]benzamide
SMILESCCCN(CC1CC1)C(=O)CCCNC(=O)c1ccccc1
InChIInChI=1S/C18H26N2O2/c1-2-13-20(14-15-10-11-15)17(21)9-6-12-19-18(22)16-7-4-3-5-8-16/h3-5,7-8,15H,2,6,9-14H2,1H3,(H,19,22)
InChIKeyNCKYXNAHRFAUIW-UHFFFAOYSA-N
XLogP2.85
TPSA49.41 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds9
Heavy Atoms22
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500302.42
LogP ≤ 52.85
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 102

Computed Properties (RDKit)

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

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Related Compounds

N-[4-(N-methylanilino)-4-oxobutyl]benzamide
CID 15040615
N-[4-(butylamino)-4-oxobutyl]benzamide
CID 78795173
N-[4-oxo-4-(propylamino)butyl]benzamide
CID 78795088
N-(4-oxopentyl)benzamide
CID 10798281
3-phenyl-N-(piperidin-4-ylmethyl)-N-propylpropanamide
CID 79701291
N-[3-[3-benzamidopropyl(methyl)amino]propyl]benzamide
CID 67474503
(2S)-2-amino-N-(cyclopropylmethyl)-2-phenyl-N-propylacetamide
CID 93193539
N-[2-[cyclopropylmethyl(prop-2-ynyl)amino]-2-oxoethyl]benzamide
CID 115549862
N-[4-[1-aminopropan-2-yl(methyl)amino]-4-oxobutyl]benzamide;hydrochloride
CID 119585085
2-[4-benzamidobutanoyl(butan-2-yl)amino]acetic acid
CID 119955163
2-bromo-N-(cyclopropylmethyl)-N-propylbenzamide
CID 60637824
2-amino-N-(cyclopropylmethyl)-N-propylbenzamide
CID 22493330

Frequently Asked Questions

What is the IUPAC name of N-[4-[cyclopropylmethyl(propyl)amino]-4-oxobutyl]benzamide?
The IUPAC name of N-[4-[cyclopropylmethyl(propyl)amino]-4-oxobutyl]benzamide (CID 78794772) is N-[4-[cyclopropylmethyl(propyl)amino]-4-oxobutyl]benzamide.
What is the SMILES notation for N-[4-[cyclopropylmethyl(propyl)amino]-4-oxobutyl]benzamide?
The canonical SMILES for N-[4-[cyclopropylmethyl(propyl)amino]-4-oxobutyl]benzamide is CCCN(CC1CC1)C(=O)CCCNC(=O)c1ccccc1.
What is the InChIKey of N-[4-[cyclopropylmethyl(propyl)amino]-4-oxobutyl]benzamide?
The InChIKey is NCKYXNAHRFAUIW-UHFFFAOYSA-N. The full InChI is InChI=1S/C18H26N2O2/c1-2-13-20(14-15-10-11-15)17(21)9-6-12-19-18(22)16-7-4-3-5-8-16/h3-5,7-8,15H,2,6,9-14H2,1H3,(H,19,22).
What are the key properties of N-[4-[cyclopropylmethyl(propyl)amino]-4-oxobutyl]benzamide?
N-[4-[cyclopropylmethyl(propyl)amino]-4-oxobutyl]benzamide has a molecular weight of 302.42 g/mol, XLogP of 2.85, 9 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for N-[4-[cyclopropylmethyl(propyl)amino]-4-oxobutyl]benzamide is sourced from PubChem (CID 78794772), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).