N-[2-(1-cyclopropylpropylamino)ethyl]-4-methylbenzamide

C16H24N2O — CID 64920352

IUPACN-[2-(1-cyclopropylpropylamino)ethyl]-4-methylbenzamide
SMILESCCC(NCCNC(=O)c1ccc(C)cc1)C1CC1
InChIInChI=1S/C16H24N2O/c1-3-15(13-8-9-13)17-10-11-18-16(19)14-6-4-12(2)5-7-14/h4-7,13,15,17H,3,8-11H2,1-2H3,(H,18,19)
InChIKeyIGEHXQSDVMLCRO-UHFFFAOYSA-N
MW260.38 g/mol
LogP2.50
Rot. Bonds7

About N-[2-(1-cyclopropylpropylamino)ethyl]-4-methylbenzamide

N-[2-(1-cyclopropylpropylamino)ethyl]-4-methylbenzamide (PubChem CID 64920352) has the molecular formula C16H24N2O and a molecular weight of 260.38 g/mol. Its IUPAC name is N-[2-(1-cyclopropylpropylamino)ethyl]-4-methylbenzamide.

Molecular Properties

Compound NameN-[2-(1-cyclopropylpropylamino)ethyl]-4-methylbenzamide
PubChem CID64920352
Molecular FormulaC16H24N2O
Molecular Weight260.38 g/mol
Exact Mass260.19
IUPAC NameN-[2-(1-cyclopropylpropylamino)ethyl]-4-methylbenzamide
SMILESCCC(NCCNC(=O)c1ccc(C)cc1)C1CC1
InChIInChI=1S/C16H24N2O/c1-3-15(13-8-9-13)17-10-11-18-16(19)14-6-4-12(2)5-7-14/h4-7,13,15,17H,3,8-11H2,1-2H3,(H,18,19)
InChIKeyIGEHXQSDVMLCRO-UHFFFAOYSA-N
XLogP2.50
TPSA41.13 Ų
H-Bond Donors2
H-Bond Acceptors2
Rotatable Bonds7
Heavy Atoms19
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500260.38
LogP ≤ 52.50
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 102

Computed Properties (RDKit)

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

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Related Compounds

N-[2-[[1-(cyclopropylamino)-1-oxopropan-2-yl]amino]ethyl]-4-methylbenzamide
CID 60966595
N-[2-(cyclopropylamino)ethyl]-4-methylbenzamide
CID 62662954
3-(1-cyclopropylpropylamino)-N-ethyl-4-methylbenzamide
CID 64918833
N-[2-[2-(aminomethyl)butanoylamino]ethyl]-4-methylbenzamide
CID 65227665
N-[2-(1-cyanobutan-2-ylamino)ethyl]-4-methylbenzamide
CID 54880689
N-(2-acetamidoethyl)-4-methylbenzamide
CID 4186573
4-methyl-N-[2-(methylamino)ethyl]benzamide
CID 59535801
N-[2-(but-3-en-2-ylamino)ethyl]-4-methylbenzamide
CID 114014543
N-[2-[(4-methylbenzoyl)amino]ethyl]piperidine-4-carboxamide;hydrochloride
CID 119299588
4-methyl-N-[2-(1-thiophen-2-ylpropylamino)ethyl]benzamide
CID 60965034
4-methyl-N-[2-[(4-methylcyclohexyl)amino]ethyl]benzamide
CID 60965036
N-[2-(1-cyanopropan-2-ylamino)ethyl]-4-methylbenzamide
CID 54880724

Frequently Asked Questions

What is the IUPAC name of N-[2-(1-cyclopropylpropylamino)ethyl]-4-methylbenzamide?
The IUPAC name of N-[2-(1-cyclopropylpropylamino)ethyl]-4-methylbenzamide (CID 64920352) is N-[2-(1-cyclopropylpropylamino)ethyl]-4-methylbenzamide.
What is the SMILES notation for N-[2-(1-cyclopropylpropylamino)ethyl]-4-methylbenzamide?
The canonical SMILES for N-[2-(1-cyclopropylpropylamino)ethyl]-4-methylbenzamide is CCC(NCCNC(=O)c1ccc(C)cc1)C1CC1.
What is the InChIKey of N-[2-(1-cyclopropylpropylamino)ethyl]-4-methylbenzamide?
The InChIKey is IGEHXQSDVMLCRO-UHFFFAOYSA-N. The full InChI is InChI=1S/C16H24N2O/c1-3-15(13-8-9-13)17-10-11-18-16(19)14-6-4-12(2)5-7-14/h4-7,13,15,17H,3,8-11H2,1-2H3,(H,18,19).
What are the key properties of N-[2-(1-cyclopropylpropylamino)ethyl]-4-methylbenzamide?
N-[2-(1-cyclopropylpropylamino)ethyl]-4-methylbenzamide has a molecular weight of 260.38 g/mol, XLogP of 2.50, 7 rotatable bonds, 2 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for N-[2-(1-cyclopropylpropylamino)ethyl]-4-methylbenzamide is sourced from PubChem (CID 64920352), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).