3-[(2-anilinoacetyl)amino]-N-carbamoylpropanamide

C12H16N4O3 — CID 119819005

IUPAC3-[(2-anilinoacetyl)amino]-N-carbamoylpropanamide
SMILESNC(=O)NC(=O)CCNC(=O)CNc1ccccc1
InChIInChI=1S/C12H16N4O3/c13-12(19)16-10(17)6-7-14-11(18)8-15-9-4-2-1-3-5-9/h1-5,15H,6-8H2,(H,14,18)(H3,13,16,17,19)
InChIKeyDCUVFYVYSIFLDL-UHFFFAOYSA-N
MW264.29 g/mol
LogP-0.20
Rot. Bonds6

About 3-[(2-anilinoacetyl)amino]-N-carbamoylpropanamide

3-[(2-anilinoacetyl)amino]-N-carbamoylpropanamide (PubChem CID 119819005) has the molecular formula C12H16N4O3 and a molecular weight of 264.29 g/mol. Its IUPAC name is 3-[(2-anilinoacetyl)amino]-N-carbamoylpropanamide.

Molecular Properties

Compound Name3-[(2-anilinoacetyl)amino]-N-carbamoylpropanamide
PubChem CID119819005
Molecular FormulaC12H16N4O3
Molecular Weight264.29 g/mol
Exact Mass264.12
IUPAC Name3-[(2-anilinoacetyl)amino]-N-carbamoylpropanamide
SMILESNC(=O)NC(=O)CCNC(=O)CNc1ccccc1
InChIInChI=1S/C12H16N4O3/c13-12(19)16-10(17)6-7-14-11(18)8-15-9-4-2-1-3-5-9/h1-5,15H,6-8H2,(H,14,18)(H3,13,16,17,19)
InChIKeyDCUVFYVYSIFLDL-UHFFFAOYSA-N
XLogP-0.20
TPSA113.32 Ų
H-Bond Donors4
H-Bond Acceptors4
Rotatable Bonds6
Heavy Atoms19
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500264.29
LogP ≤ 5-0.20
H-Bond Donors ≤ 54
H-Bond Acceptors ≤ 104

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Related Compounds

3-[(2-anilinoacetyl)amino]-N-propan-2-ylpropanamide
CID 112701585
methyl 3-[(2-anilinoacetyl)amino]propanoate
CID 60671204
2-anilino-N-(3-hydroxypropyl)acetamide
CID 60861419
3-[(2-anilinoacetyl)amino]-N-butan-2-ylpropanamide
CID 61022348
2-anilino-N-[2-oxo-2-(propylamino)ethyl]acetamide;hydrochloride
CID 119689818
methyl 4-[(2-anilinoacetyl)amino]butanoate
CID 60671224
2-anilino-N-(2,2,2-trifluoroethyl)acetamide;hydrochloride
CID 119726408
2-anilino-N-(3-cyanopropyl)acetamide
CID 62666657
2-anilino-N-(3-propan-2-yloxypropyl)acetamide
CID 39353530
2-anilino-N-[2-(methylamino)-2-oxoethyl]acetamide
CID 60671281
3-[[2-(carbamoylamino)-2-oxoethyl]amino]benzamide
CID 113218880
4-[(2-anilinoacetyl)amino]-N-cyclopropylbutanamide
CID 79401604

Frequently Asked Questions

What is the IUPAC name of 3-[(2-anilinoacetyl)amino]-N-carbamoylpropanamide?
The IUPAC name of 3-[(2-anilinoacetyl)amino]-N-carbamoylpropanamide (CID 119819005) is 3-[(2-anilinoacetyl)amino]-N-carbamoylpropanamide.
What is the SMILES notation for 3-[(2-anilinoacetyl)amino]-N-carbamoylpropanamide?
The canonical SMILES for 3-[(2-anilinoacetyl)amino]-N-carbamoylpropanamide is NC(=O)NC(=O)CCNC(=O)CNc1ccccc1.
What is the InChIKey of 3-[(2-anilinoacetyl)amino]-N-carbamoylpropanamide?
The InChIKey is DCUVFYVYSIFLDL-UHFFFAOYSA-N. The full InChI is InChI=1S/C12H16N4O3/c13-12(19)16-10(17)6-7-14-11(18)8-15-9-4-2-1-3-5-9/h1-5,15H,6-8H2,(H,14,18)(H3,13,16,17,19).
What are the key properties of 3-[(2-anilinoacetyl)amino]-N-carbamoylpropanamide?
3-[(2-anilinoacetyl)amino]-N-carbamoylpropanamide has a molecular weight of 264.29 g/mol, XLogP of -0.20, 6 rotatable bonds, 4 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 3-[(2-anilinoacetyl)amino]-N-carbamoylpropanamide is sourced from PubChem (CID 119819005), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).