2-[3-aminopropyl(benzyl)amino]-N-carbamoylacetamide

C13H20N4O2 — CID 107366810

IUPAC2-[3-aminopropyl(benzyl)amino]-N-carbamoylacetamide
SMILESNCCCN(CC(=O)NC(N)=O)Cc1ccccc1
InChIInChI=1S/C13H20N4O2/c14-7-4-8-17(10-12(18)16-13(15)19)9-11-5-2-1-3-6-11/h1-3,5-6H,4,7-10,14H2,(H3,15,16,18,19)
InChIKeySOFDRZCYYFWXIZ-UHFFFAOYSA-N
MW264.33 g/mol
LogP0.03
Rot. Bonds7

About 2-[3-aminopropyl(benzyl)amino]-N-carbamoylacetamide

2-[3-aminopropyl(benzyl)amino]-N-carbamoylacetamide (PubChem CID 107366810) has the molecular formula C13H20N4O2 and a molecular weight of 264.33 g/mol. Its IUPAC name is 2-[3-aminopropyl(benzyl)amino]-N-carbamoylacetamide.

Molecular Properties

Compound Name2-[3-aminopropyl(benzyl)amino]-N-carbamoylacetamide
PubChem CID107366810
Molecular FormulaC13H20N4O2
Molecular Weight264.33 g/mol
Exact Mass264.16
IUPAC Name2-[3-aminopropyl(benzyl)amino]-N-carbamoylacetamide
SMILESNCCCN(CC(=O)NC(N)=O)Cc1ccccc1
InChIInChI=1S/C13H20N4O2/c14-7-4-8-17(10-12(18)16-13(15)19)9-11-5-2-1-3-6-11/h1-3,5-6H,4,7-10,14H2,(H3,15,16,18,19)
InChIKeySOFDRZCYYFWXIZ-UHFFFAOYSA-N
XLogP0.03
TPSA101.45 Ų
H-Bond Donors3
H-Bond Acceptors4
Rotatable Bonds7
Heavy Atoms19
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500264.33
LogP ≤ 50.03
H-Bond Donors ≤ 53
H-Bond Acceptors ≤ 104

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Related Compounds

3-[benzyl-[2-(carbamoylamino)-2-oxoethyl]amino]propanamide
CID 34910056
2-[3-aminopropyl(propyl)amino]-N-carbamoylacetamide
CID 43137300
2-[(4-aminophenyl)methyl-propylamino]-N-carbamoylacetamide
CID 43459558
N'-benzyl-N'-(2-methylidenebutyl)propane-1,3-diamine
CID 107367618
N'-benzyl-N'-(3-ethylsulfonylpropyl)propane-1,3-diamine
CID 107367797
4-[[2-[2-aminoethyl(benzyl)amino]acetyl]amino]butanoic acid
CID 106511665
2-[(4-aminophenyl)methyl-ethylamino]-N-carbamoylacetamide
CID 43383866
N'-benzyl-N'-(3-fluoropropyl)propane-1,3-diamine
CID 107367851
3-[benzyl(furan-2-ylmethyl)amino]-N-carbamoylpropanamide
CID 18126981
2-[benzyl(2-hydroxyethyl)amino]-N-(methylcarbamoyl)acetamide
CID 60685209
methyl 4-aminobutanoate;methyl 4-(dibenzylamino)butanoate
CID 164962319
1-(3-aminopropyl)-1-benzyl-3,3-dimethylurea
CID 107366332

Frequently Asked Questions

What is the IUPAC name of 2-[3-aminopropyl(benzyl)amino]-N-carbamoylacetamide?
The IUPAC name of 2-[3-aminopropyl(benzyl)amino]-N-carbamoylacetamide (CID 107366810) is 2-[3-aminopropyl(benzyl)amino]-N-carbamoylacetamide.
What is the SMILES notation for 2-[3-aminopropyl(benzyl)amino]-N-carbamoylacetamide?
The canonical SMILES for 2-[3-aminopropyl(benzyl)amino]-N-carbamoylacetamide is NCCCN(CC(=O)NC(N)=O)Cc1ccccc1.
What is the InChIKey of 2-[3-aminopropyl(benzyl)amino]-N-carbamoylacetamide?
The InChIKey is SOFDRZCYYFWXIZ-UHFFFAOYSA-N. The full InChI is InChI=1S/C13H20N4O2/c14-7-4-8-17(10-12(18)16-13(15)19)9-11-5-2-1-3-6-11/h1-3,5-6H,4,7-10,14H2,(H3,15,16,18,19).
What are the key properties of 2-[3-aminopropyl(benzyl)amino]-N-carbamoylacetamide?
2-[3-aminopropyl(benzyl)amino]-N-carbamoylacetamide has a molecular weight of 264.33 g/mol, XLogP of 0.03, 7 rotatable bonds, 3 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 2-[3-aminopropyl(benzyl)amino]-N-carbamoylacetamide is sourced from PubChem (CID 107366810), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).