4-(2-aminoethyl)-N-(3-methylpentan-3-yl)benzamide

C15H24N2O — CID 114174177

IUPAC4-(2-aminoethyl)-N-(3-methylpentan-3-yl)benzamide
SMILESCCC(C)(CC)NC(=O)c1ccc(CCN)cc1
InChIInChI=1S/C15H24N2O/c1-4-15(3,5-2)17-14(18)13-8-6-12(7-9-13)10-11-16/h6-9H,4-5,10-11,16H2,1-3H3,(H,17,18)
InChIKeySDOGOIFTYNMOMP-UHFFFAOYSA-N
MW248.37 g/mol
LogP2.50
Rot. Bonds6

About 4-(2-aminoethyl)-N-(3-methylpentan-3-yl)benzamide

4-(2-aminoethyl)-N-(3-methylpentan-3-yl)benzamide (PubChem CID 114174177) has the molecular formula C15H24N2O and a molecular weight of 248.37 g/mol. Its IUPAC name is 4-(2-aminoethyl)-N-(3-methylpentan-3-yl)benzamide.

Molecular Properties

Compound Name4-(2-aminoethyl)-N-(3-methylpentan-3-yl)benzamide
PubChem CID114174177
Molecular FormulaC15H24N2O
Molecular Weight248.37 g/mol
Exact Mass248.19
IUPAC Name4-(2-aminoethyl)-N-(3-methylpentan-3-yl)benzamide
SMILESCCC(C)(CC)NC(=O)c1ccc(CCN)cc1
InChIInChI=1S/C15H24N2O/c1-4-15(3,5-2)17-14(18)13-8-6-12(7-9-13)10-11-16/h6-9H,4-5,10-11,16H2,1-3H3,(H,17,18)
InChIKeySDOGOIFTYNMOMP-UHFFFAOYSA-N
XLogP2.50
TPSA55.12 Ų
H-Bond Donors2
H-Bond Acceptors2
Rotatable Bonds6
Heavy Atoms18
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500248.37
LogP ≤ 52.50
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 102

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Related Compounds

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CID 64558344
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CID 65107141
4-[(Z)-N'-hydroxycarbamimidoyl]-N-(3-methylpentan-3-yl)benzamide
CID 106330933
4-(2-aminoethyl)-N-methoxybenzamide
CID 64974995
N-[3-(aminomethyl)pentan-3-yl]-4-propylbenzamide;hydrochloride
CID 119571299
4-(aminomethyl)-N-(3-ethylpentan-3-yl)benzamide;hydrochloride
CID 119334920
4-chloro-N-(1-hydroxy-3-methylpentan-3-yl)benzamide
CID 103945880
5-(aminomethyl)-N-(3-methylpentan-3-yl)furan-2-carboxamide
CID 103811384
4-(2-Aminoethyl)-benzoic acid sodium
CID 70590830
4-amino-3,5-difluoro-N-(3-methylpentan-3-yl)benzamide
CID 106331348
N-(1-amino-2-methylbutan-2-yl)-4-butoxybenzamide
CID 64550930
4-(2-aminoethyl)-N-cyanobenzamide
CID 79194320

Frequently Asked Questions

What is the IUPAC name of 4-(2-aminoethyl)-N-(3-methylpentan-3-yl)benzamide?
The IUPAC name of 4-(2-aminoethyl)-N-(3-methylpentan-3-yl)benzamide (CID 114174177) is 4-(2-aminoethyl)-N-(3-methylpentan-3-yl)benzamide.
What is the SMILES notation for 4-(2-aminoethyl)-N-(3-methylpentan-3-yl)benzamide?
The canonical SMILES for 4-(2-aminoethyl)-N-(3-methylpentan-3-yl)benzamide is CCC(C)(CC)NC(=O)c1ccc(CCN)cc1.
What is the InChIKey of 4-(2-aminoethyl)-N-(3-methylpentan-3-yl)benzamide?
The InChIKey is SDOGOIFTYNMOMP-UHFFFAOYSA-N. The full InChI is InChI=1S/C15H24N2O/c1-4-15(3,5-2)17-14(18)13-8-6-12(7-9-13)10-11-16/h6-9H,4-5,10-11,16H2,1-3H3,(H,17,18).
What are the key properties of 4-(2-aminoethyl)-N-(3-methylpentan-3-yl)benzamide?
4-(2-aminoethyl)-N-(3-methylpentan-3-yl)benzamide has a molecular weight of 248.37 g/mol, XLogP of 2.50, 6 rotatable bonds, 2 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 4-(2-aminoethyl)-N-(3-methylpentan-3-yl)benzamide is sourced from PubChem (CID 114174177), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).