3-(2-aminophenyl)-N-[2-(carbamoylamino)ethyl]propanamide

C12H18N4O2 — CID 83114772

IUPAC3-(2-aminophenyl)-N-[2-(carbamoylamino)ethyl]propanamide
SMILESNC(=O)NCCNC(=O)CCc1ccccc1N
InChIInChI=1S/C12H18N4O2/c13-10-4-2-1-3-9(10)5-6-11(17)15-7-8-16-12(14)18/h1-4H,5-8,13H2,(H,15,17)(H3,14,16,18)
InChIKeyIJIOCIRCDOHONK-UHFFFAOYSA-N
MW250.30 g/mol
LogP-0.01
Rot. Bonds6

About 3-(2-aminophenyl)-N-[2-(carbamoylamino)ethyl]propanamide

3-(2-aminophenyl)-N-[2-(carbamoylamino)ethyl]propanamide (PubChem CID 83114772) has the molecular formula C12H18N4O2 and a molecular weight of 250.30 g/mol. Its IUPAC name is 3-(2-aminophenyl)-N-[2-(carbamoylamino)ethyl]propanamide.

Molecular Properties

Compound Name3-(2-aminophenyl)-N-[2-(carbamoylamino)ethyl]propanamide
PubChem CID83114772
Molecular FormulaC12H18N4O2
Molecular Weight250.30 g/mol
Exact Mass250.14
IUPAC Name3-(2-aminophenyl)-N-[2-(carbamoylamino)ethyl]propanamide
SMILESNC(=O)NCCNC(=O)CCc1ccccc1N
InChIInChI=1S/C12H18N4O2/c13-10-4-2-1-3-9(10)5-6-11(17)15-7-8-16-12(14)18/h1-4H,5-8,13H2,(H,15,17)(H3,14,16,18)
InChIKeyIJIOCIRCDOHONK-UHFFFAOYSA-N
XLogP-0.01
TPSA110.24 Ų
H-Bond Donors4
H-Bond Acceptors3
Rotatable Bonds6
Heavy Atoms18
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500250.30
LogP ≤ 5-0.01
H-Bond Donors ≤ 54
H-Bond Acceptors ≤ 103

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'Aliphatic_long_chain', 'substructure': 'N/A'}, {'alert_name': 'aniline', 'substructure': 'N/A'}

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Related Compounds

N-(2-acetamidoethyl)-3-(2-aminophenyl)propanamide;hydrochloride
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CID 120609267
N-(3-acetamidopropyl)-3-(2-aminophenyl)propanamide;hydrochloride
CID 120609121
3-(2-aminophenyl)-N-(5-phenylpentyl)propanamide
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CID 107836360
3-(2-aminophenyl)-N-(2-pyrrolidin-1-ylethyl)propanamide
CID 55097553
3-(2-aminophenyl)-N-(2-chloroprop-2-enyl)propanamide
CID 107273388
3-(2-aminophenyl)-N-[3-(methanesulfonamido)propyl]propanamide
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3-(2-aminophenyl)-N-(3-phenoxypropyl)propanamide;hydrochloride
CID 120608352
3-(2-aminophenyl)-N-[2-(N-methylanilino)ethyl]propanamide
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CID 62314321

Frequently Asked Questions

What is the IUPAC name of 3-(2-aminophenyl)-N-[2-(carbamoylamino)ethyl]propanamide?
The IUPAC name of 3-(2-aminophenyl)-N-[2-(carbamoylamino)ethyl]propanamide (CID 83114772) is 3-(2-aminophenyl)-N-[2-(carbamoylamino)ethyl]propanamide.
What is the SMILES notation for 3-(2-aminophenyl)-N-[2-(carbamoylamino)ethyl]propanamide?
The canonical SMILES for 3-(2-aminophenyl)-N-[2-(carbamoylamino)ethyl]propanamide is NC(=O)NCCNC(=O)CCc1ccccc1N.
What is the InChIKey of 3-(2-aminophenyl)-N-[2-(carbamoylamino)ethyl]propanamide?
The InChIKey is IJIOCIRCDOHONK-UHFFFAOYSA-N. The full InChI is InChI=1S/C12H18N4O2/c13-10-4-2-1-3-9(10)5-6-11(17)15-7-8-16-12(14)18/h1-4H,5-8,13H2,(H,15,17)(H3,14,16,18).
What are the key properties of 3-(2-aminophenyl)-N-[2-(carbamoylamino)ethyl]propanamide?
3-(2-aminophenyl)-N-[2-(carbamoylamino)ethyl]propanamide has a molecular weight of 250.30 g/mol, XLogP of -0.01, 6 rotatable bonds, 4 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 3-(2-aminophenyl)-N-[2-(carbamoylamino)ethyl]propanamide is sourced from PubChem (CID 83114772), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).