3-[benzyl-[2-(carbamoylamino)-2-oxoethyl]amino]propanamide

C13H18N4O3 — CID 34910056

IUPAC3-[benzyl-[2-(carbamoylamino)-2-oxoethyl]amino]propanamide
SMILESNC(=O)CCN(CC(=O)NC(N)=O)Cc1ccccc1
InChIInChI=1S/C13H18N4O3/c14-11(18)6-7-17(9-12(19)16-13(15)20)8-10-4-2-1-3-5-10/h1-5H,6-9H2,(H2,14,18)(H3,15,16,19,20)
InChIKeyGFIFZTLHMSHUFX-UHFFFAOYSA-N
MW278.31 g/mol
LogP-0.44
Rot. Bonds7

About 3-[benzyl-[2-(carbamoylamino)-2-oxoethyl]amino]propanamide

3-[benzyl-[2-(carbamoylamino)-2-oxoethyl]amino]propanamide (PubChem CID 34910056) has the molecular formula C13H18N4O3 and a molecular weight of 278.31 g/mol. Its IUPAC name is 3-[benzyl-[2-(carbamoylamino)-2-oxoethyl]amino]propanamide.

Molecular Properties

Compound Name3-[benzyl-[2-(carbamoylamino)-2-oxoethyl]amino]propanamide
PubChem CID34910056
Molecular FormulaC13H18N4O3
Molecular Weight278.31 g/mol
Exact Mass278.14
IUPAC Name3-[benzyl-[2-(carbamoylamino)-2-oxoethyl]amino]propanamide
SMILESNC(=O)CCN(CC(=O)NC(N)=O)Cc1ccccc1
InChIInChI=1S/C13H18N4O3/c14-11(18)6-7-17(9-12(19)16-13(15)20)8-10-4-2-1-3-5-10/h1-5H,6-9H2,(H2,14,18)(H3,15,16,19,20)
InChIKeyGFIFZTLHMSHUFX-UHFFFAOYSA-N
XLogP-0.44
TPSA118.52 Ų
H-Bond Donors3
H-Bond Acceptors4
Rotatable Bonds7
Heavy Atoms20
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500278.31
LogP ≤ 5-0.44
H-Bond Donors ≤ 53
H-Bond Acceptors ≤ 104

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Related Compounds

2-[3-aminopropyl(benzyl)amino]-N-carbamoylacetamide
CID 107366810
3-[benzyl(furan-2-ylmethyl)amino]-N-carbamoylpropanamide
CID 18126981
3-[benzyl-[2-(methylamino)-2-oxoethyl]amino]propanoic acid
CID 82330019
2-[(4-aminophenyl)methyl-propylamino]-N-carbamoylacetamide
CID 43459558
3-[benzyl-[2-[2-(4-ethoxyphenoxy)ethylamino]-2-oxoethyl]amino]propanamide
CID 18288462
methyl 3-[benzyl-[3-(carbamoylamino)-3-oxopropyl]amino]-2-methylpropanoate
CID 51107101
2-[(4-aminophenyl)methyl-ethylamino]-N-carbamoylacetamide
CID 43383866
azane;3-(dibenzylamino)propanoic acid
CID 162310692
2-[benzyl(2-hydroxyethyl)amino]-N-(methylcarbamoyl)acetamide
CID 60685209
3-[(2-amino-2-oxoethyl)-[(3-aminophenyl)methyl]amino]propanamide
CID 43384175
3-[2-[benzyl(propyl)amino]ethylsulfonyl]propanamide
CID 26514081
ethyl 2-[benzyl-[2-(methylamino)-2-oxoethyl]amino]acetate
CID 78979113

Frequently Asked Questions

What is the IUPAC name of 3-[benzyl-[2-(carbamoylamino)-2-oxoethyl]amino]propanamide?
The IUPAC name of 3-[benzyl-[2-(carbamoylamino)-2-oxoethyl]amino]propanamide (CID 34910056) is 3-[benzyl-[2-(carbamoylamino)-2-oxoethyl]amino]propanamide.
What is the SMILES notation for 3-[benzyl-[2-(carbamoylamino)-2-oxoethyl]amino]propanamide?
The canonical SMILES for 3-[benzyl-[2-(carbamoylamino)-2-oxoethyl]amino]propanamide is NC(=O)CCN(CC(=O)NC(N)=O)Cc1ccccc1.
What is the InChIKey of 3-[benzyl-[2-(carbamoylamino)-2-oxoethyl]amino]propanamide?
The InChIKey is GFIFZTLHMSHUFX-UHFFFAOYSA-N. The full InChI is InChI=1S/C13H18N4O3/c14-11(18)6-7-17(9-12(19)16-13(15)20)8-10-4-2-1-3-5-10/h1-5H,6-9H2,(H2,14,18)(H3,15,16,19,20).
What are the key properties of 3-[benzyl-[2-(carbamoylamino)-2-oxoethyl]amino]propanamide?
3-[benzyl-[2-(carbamoylamino)-2-oxoethyl]amino]propanamide has a molecular weight of 278.31 g/mol, XLogP of -0.44, 7 rotatable bonds, 3 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 3-[benzyl-[2-(carbamoylamino)-2-oxoethyl]amino]propanamide is sourced from PubChem (CID 34910056), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).