3-(2-aminoethyl)-N-[2-(cyclopropylamino)-2-oxoethyl]benzamide

C14H19N3O2 — CID 62592616

IUPAC3-(2-aminoethyl)-N-[2-(cyclopropylamino)-2-oxoethyl]benzamide
SMILESNCCc1cccc(C(=O)NCC(=O)NC2CC2)c1
InChIInChI=1S/C14H19N3O2/c15-7-6-10-2-1-3-11(8-10)14(19)16-9-13(18)17-12-4-5-12/h1-3,8,12H,4-7,9,15H2,(H,16,19)(H,17,18)
InChIKeyIXEVNIUFXPLQLQ-UHFFFAOYSA-N
MW261.32 g/mol
LogP0.20
Rot. Bonds6

About 3-(2-aminoethyl)-N-[2-(cyclopropylamino)-2-oxoethyl]benzamide

3-(2-aminoethyl)-N-[2-(cyclopropylamino)-2-oxoethyl]benzamide (PubChem CID 62592616) has the molecular formula C14H19N3O2 and a molecular weight of 261.32 g/mol. Its IUPAC name is 3-(2-aminoethyl)-N-[2-(cyclopropylamino)-2-oxoethyl]benzamide.

Molecular Properties

Compound Name3-(2-aminoethyl)-N-[2-(cyclopropylamino)-2-oxoethyl]benzamide
PubChem CID62592616
Molecular FormulaC14H19N3O2
Molecular Weight261.32 g/mol
Exact Mass261.15
IUPAC Name3-(2-aminoethyl)-N-[2-(cyclopropylamino)-2-oxoethyl]benzamide
SMILESNCCc1cccc(C(=O)NCC(=O)NC2CC2)c1
InChIInChI=1S/C14H19N3O2/c15-7-6-10-2-1-3-11(8-10)14(19)16-9-13(18)17-12-4-5-12/h1-3,8,12H,4-7,9,15H2,(H,16,19)(H,17,18)
InChIKeyIXEVNIUFXPLQLQ-UHFFFAOYSA-N
XLogP0.20
TPSA84.22 Ų
H-Bond Donors3
H-Bond Acceptors3
Rotatable Bonds6
Heavy Atoms19
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500261.32
LogP ≤ 50.20
H-Bond Donors ≤ 53
H-Bond Acceptors ≤ 103

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Related Compounds

3-(2-aminoethyl)-N-cyclohexylbenzamide
CID 62591538
3-(2-aminoethoxy)-N-[2-(cyclopropylamino)-2-oxoethyl]benzamide
CID 118793810
3-carbamothioyl-N-[2-(cyclopropylamino)-2-oxoethyl]benzamide
CID 43568522
3-(2-aminoethyl)-N-(cyclobutylmethyl)benzamide
CID 62592961
3-(2-aminoethyl)-N-benzylbenzamide
CID 62591363
3-(2-aminoethyl)-N-[(1S,2S)-2-hydroxycyclohexyl]benzamide
CID 107211868
2-(aminomethyl)-N-[2-(cyclopropylamino)-2-oxoethyl]pyridine-4-carboxamide
CID 113277733
2-[3-(2-aminoethyl)phenoxy]-N-cyclopropylacetamide
CID 54930762
3-(2-aminoethyl)-N-[(2-methylcyclopentyl)methyl]benzamide
CID 107416397
3-(2-aminoethyl)-N-(2-methyl-2-methylsulfonylpropyl)benzamide
CID 79551523
3-(3-chlorophenyl)-N-[2-(cyclopropylamino)-2-oxoethyl]propanamide
CID 47142765
cis-(1R,3S)-3-[[2-[(3-fluorobenzoyl)amino]acetyl]amino]cyclopentane-1-carboxylic acid
CID 120678933

Frequently Asked Questions

What is the IUPAC name of 3-(2-aminoethyl)-N-[2-(cyclopropylamino)-2-oxoethyl]benzamide?
The IUPAC name of 3-(2-aminoethyl)-N-[2-(cyclopropylamino)-2-oxoethyl]benzamide (CID 62592616) is 3-(2-aminoethyl)-N-[2-(cyclopropylamino)-2-oxoethyl]benzamide.
What is the SMILES notation for 3-(2-aminoethyl)-N-[2-(cyclopropylamino)-2-oxoethyl]benzamide?
The canonical SMILES for 3-(2-aminoethyl)-N-[2-(cyclopropylamino)-2-oxoethyl]benzamide is NCCc1cccc(C(=O)NCC(=O)NC2CC2)c1.
What is the InChIKey of 3-(2-aminoethyl)-N-[2-(cyclopropylamino)-2-oxoethyl]benzamide?
The InChIKey is IXEVNIUFXPLQLQ-UHFFFAOYSA-N. The full InChI is InChI=1S/C14H19N3O2/c15-7-6-10-2-1-3-11(8-10)14(19)16-9-13(18)17-12-4-5-12/h1-3,8,12H,4-7,9,15H2,(H,16,19)(H,17,18).
What are the key properties of 3-(2-aminoethyl)-N-[2-(cyclopropylamino)-2-oxoethyl]benzamide?
3-(2-aminoethyl)-N-[2-(cyclopropylamino)-2-oxoethyl]benzamide has a molecular weight of 261.32 g/mol, XLogP of 0.20, 6 rotatable bonds, 3 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 3-(2-aminoethyl)-N-[2-(cyclopropylamino)-2-oxoethyl]benzamide is sourced from PubChem (CID 62592616), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).