N-[2-(1-aminopentan-2-ylamino)-2-oxoethyl]benzamide

C14H21N3O2 — CID 65191645

IUPACN-[2-(1-aminopentan-2-ylamino)-2-oxoethyl]benzamide
SMILESCCCC(CN)NC(=O)CNC(=O)c1ccccc1
InChIInChI=1S/C14H21N3O2/c1-2-6-12(9-15)17-13(18)10-16-14(19)11-7-4-3-5-8-11/h3-5,7-8,12H,2,6,9-10,15H2,1H3,(H,16,19)(H,17,18)
InChIKeyUKRNZYCWEMLCQF-UHFFFAOYSA-N
MW263.34 g/mol
LogP0.66
Rot. Bonds7

About N-[2-(1-aminopentan-2-ylamino)-2-oxoethyl]benzamide

N-[2-(1-aminopentan-2-ylamino)-2-oxoethyl]benzamide (PubChem CID 65191645) has the molecular formula C14H21N3O2 and a molecular weight of 263.34 g/mol. Its IUPAC name is N-[2-(1-aminopentan-2-ylamino)-2-oxoethyl]benzamide.

Molecular Properties

Compound NameN-[2-(1-aminopentan-2-ylamino)-2-oxoethyl]benzamide
PubChem CID65191645
Molecular FormulaC14H21N3O2
Molecular Weight263.34 g/mol
Exact Mass263.16
IUPAC NameN-[2-(1-aminopentan-2-ylamino)-2-oxoethyl]benzamide
SMILESCCCC(CN)NC(=O)CNC(=O)c1ccccc1
InChIInChI=1S/C14H21N3O2/c1-2-6-12(9-15)17-13(18)10-16-14(19)11-7-4-3-5-8-11/h3-5,7-8,12H,2,6,9-10,15H2,1H3,(H,16,19)(H,17,18)
InChIKeyUKRNZYCWEMLCQF-UHFFFAOYSA-N
XLogP0.66
TPSA84.22 Ų
H-Bond Donors3
H-Bond Acceptors3
Rotatable Bonds7
Heavy Atoms19
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500263.34
LogP ≤ 50.66
H-Bond Donors ≤ 53
H-Bond Acceptors ≤ 103

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Related Compounds

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Frequently Asked Questions

What is the IUPAC name of N-[2-(1-aminopentan-2-ylamino)-2-oxoethyl]benzamide?
The IUPAC name of N-[2-(1-aminopentan-2-ylamino)-2-oxoethyl]benzamide (CID 65191645) is N-[2-(1-aminopentan-2-ylamino)-2-oxoethyl]benzamide.
What is the SMILES notation for N-[2-(1-aminopentan-2-ylamino)-2-oxoethyl]benzamide?
The canonical SMILES for N-[2-(1-aminopentan-2-ylamino)-2-oxoethyl]benzamide is CCCC(CN)NC(=O)CNC(=O)c1ccccc1.
What is the InChIKey of N-[2-(1-aminopentan-2-ylamino)-2-oxoethyl]benzamide?
The InChIKey is UKRNZYCWEMLCQF-UHFFFAOYSA-N. The full InChI is InChI=1S/C14H21N3O2/c1-2-6-12(9-15)17-13(18)10-16-14(19)11-7-4-3-5-8-11/h3-5,7-8,12H,2,6,9-10,15H2,1H3,(H,16,19)(H,17,18).
What are the key properties of N-[2-(1-aminopentan-2-ylamino)-2-oxoethyl]benzamide?
N-[2-(1-aminopentan-2-ylamino)-2-oxoethyl]benzamide has a molecular weight of 263.34 g/mol, XLogP of 0.66, 7 rotatable bonds, 3 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for N-[2-(1-aminopentan-2-ylamino)-2-oxoethyl]benzamide is sourced from PubChem (CID 65191645), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).