3-(1-cyclopropylpropylamino)-N-ethyl-4-methylbenzamide

C16H24N2O — CID 64918833

IUPAC3-(1-cyclopropylpropylamino)-N-ethyl-4-methylbenzamide
SMILESCCNC(=O)c1ccc(C)c(NC(CC)C2CC2)c1
InChIInChI=1S/C16H24N2O/c1-4-14(12-8-9-12)18-15-10-13(7-6-11(15)3)16(19)17-5-2/h6-7,10,12,14,18H,4-5,8-9H2,1-3H3,(H,17,19)
InChIKeyISYQANVYYADNFP-UHFFFAOYSA-N
MW260.38 g/mol
LogP3.35
Rot. Bonds6

About 3-(1-cyclopropylpropylamino)-N-ethyl-4-methylbenzamide

3-(1-cyclopropylpropylamino)-N-ethyl-4-methylbenzamide (PubChem CID 64918833) has the molecular formula C16H24N2O and a molecular weight of 260.38 g/mol. Its IUPAC name is 3-(1-cyclopropylpropylamino)-N-ethyl-4-methylbenzamide.

Molecular Properties

Compound Name3-(1-cyclopropylpropylamino)-N-ethyl-4-methylbenzamide
PubChem CID64918833
Molecular FormulaC16H24N2O
Molecular Weight260.38 g/mol
Exact Mass260.19
IUPAC Name3-(1-cyclopropylpropylamino)-N-ethyl-4-methylbenzamide
SMILESCCNC(=O)c1ccc(C)c(NC(CC)C2CC2)c1
InChIInChI=1S/C16H24N2O/c1-4-14(12-8-9-12)18-15-10-13(7-6-11(15)3)16(19)17-5-2/h6-7,10,12,14,18H,4-5,8-9H2,1-3H3,(H,17,19)
InChIKeyISYQANVYYADNFP-UHFFFAOYSA-N
XLogP3.35
TPSA41.13 Ų
H-Bond Donors2
H-Bond Acceptors2
Rotatable Bonds6
Heavy Atoms19
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500260.38
LogP ≤ 53.35
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 102

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Frequently Asked Questions

What is the IUPAC name of 3-(1-cyclopropylpropylamino)-N-ethyl-4-methylbenzamide?
The IUPAC name of 3-(1-cyclopropylpropylamino)-N-ethyl-4-methylbenzamide (CID 64918833) is 3-(1-cyclopropylpropylamino)-N-ethyl-4-methylbenzamide.
What is the SMILES notation for 3-(1-cyclopropylpropylamino)-N-ethyl-4-methylbenzamide?
The canonical SMILES for 3-(1-cyclopropylpropylamino)-N-ethyl-4-methylbenzamide is CCNC(=O)c1ccc(C)c(NC(CC)C2CC2)c1.
What is the InChIKey of 3-(1-cyclopropylpropylamino)-N-ethyl-4-methylbenzamide?
The InChIKey is ISYQANVYYADNFP-UHFFFAOYSA-N. The full InChI is InChI=1S/C16H24N2O/c1-4-14(12-8-9-12)18-15-10-13(7-6-11(15)3)16(19)17-5-2/h6-7,10,12,14,18H,4-5,8-9H2,1-3H3,(H,17,19).
What are the key properties of 3-(1-cyclopropylpropylamino)-N-ethyl-4-methylbenzamide?
3-(1-cyclopropylpropylamino)-N-ethyl-4-methylbenzamide has a molecular weight of 260.38 g/mol, XLogP of 3.35, 6 rotatable bonds, 2 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 3-(1-cyclopropylpropylamino)-N-ethyl-4-methylbenzamide is sourced from PubChem (CID 64918833), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).