N-[3-(carbamoylamino)phenyl]-2-(cyclopropylamino)acetamide

C12H16N4O2 — CID 60843404

IUPACN-[3-(carbamoylamino)phenyl]-2-(cyclopropylamino)acetamide
SMILESNC(=O)Nc1cccc(NC(=O)CNC2CC2)c1
InChIInChI=1S/C12H16N4O2/c13-12(18)16-10-3-1-2-9(6-10)15-11(17)7-14-8-4-5-8/h1-3,6,8,14H,4-5,7H2,(H,15,17)(H3,13,16,18)
InChIKeyQEQOGBDVZNRNLE-UHFFFAOYSA-N
MW248.29 g/mol
LogP0.87
Rot. Bonds5

About N-[3-(carbamoylamino)phenyl]-2-(cyclopropylamino)acetamide

N-[3-(carbamoylamino)phenyl]-2-(cyclopropylamino)acetamide (PubChem CID 60843404) has the molecular formula C12H16N4O2 and a molecular weight of 248.29 g/mol. Its IUPAC name is N-[3-(carbamoylamino)phenyl]-2-(cyclopropylamino)acetamide.

Molecular Properties

Compound NameN-[3-(carbamoylamino)phenyl]-2-(cyclopropylamino)acetamide
PubChem CID60843404
Molecular FormulaC12H16N4O2
Molecular Weight248.29 g/mol
Exact Mass248.13
IUPAC NameN-[3-(carbamoylamino)phenyl]-2-(cyclopropylamino)acetamide
SMILESNC(=O)Nc1cccc(NC(=O)CNC2CC2)c1
InChIInChI=1S/C12H16N4O2/c13-12(18)16-10-3-1-2-9(6-10)15-11(17)7-14-8-4-5-8/h1-3,6,8,14H,4-5,7H2,(H,15,17)(H3,13,16,18)
InChIKeyQEQOGBDVZNRNLE-UHFFFAOYSA-N
XLogP0.87
TPSA96.25 Ų
H-Bond Donors4
H-Bond Acceptors3
Rotatable Bonds5
Heavy Atoms18
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500248.29
LogP ≤ 50.87
H-Bond Donors ≤ 54
H-Bond Acceptors ≤ 103

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Related Compounds

2-(cyclopropylamino)-N-[3-(methanesulfonamido)phenyl]acetamide
CID 61274882
ethyl 3-[[2-(cyclopropylamino)acetyl]amino]benzoate
CID 61260799
2-(cyclopropylamino)-N-naphthalen-2-ylacetamide
CID 54917835
N-(3-chlorophenyl)-2-(cycloheptylamino)acetamide
CID 43236492
2-(cyclopropylamino)-N-(3,4-difluorophenyl)acetamide
CID 60647201
N-(3-butan-2-yloxyphenyl)-2-(cyclopropylamino)acetamide
CID 62327374
ethyl 4-[[2-(3-methylanilino)-2-oxoethyl]amino]piperidine-1-carboxylate
CID 109003606
2-[(1,1-dioxothian-4-yl)amino]-N-(3-fluorophenyl)acetamide
CID 43615218
2-[(4-ethylcyclohexyl)amino]-N-phenylacetamide
CID 60958245
2-(cyclopropylamino)-N-[3-(5-methyl-1H-1,2,4-triazol-3-yl)phenyl]acetamide
CID 60928278
3-[[2-(cyclohexylamino)acetyl]amino]-N-methylbenzamide
CID 54816300
2-(cyclopentylamino)-N-[3-(difluoromethoxy)phenyl]acetamide
CID 60849036

Frequently Asked Questions

What is the IUPAC name of N-[3-(carbamoylamino)phenyl]-2-(cyclopropylamino)acetamide?
The IUPAC name of N-[3-(carbamoylamino)phenyl]-2-(cyclopropylamino)acetamide (CID 60843404) is N-[3-(carbamoylamino)phenyl]-2-(cyclopropylamino)acetamide.
What is the SMILES notation for N-[3-(carbamoylamino)phenyl]-2-(cyclopropylamino)acetamide?
The canonical SMILES for N-[3-(carbamoylamino)phenyl]-2-(cyclopropylamino)acetamide is NC(=O)Nc1cccc(NC(=O)CNC2CC2)c1.
What is the InChIKey of N-[3-(carbamoylamino)phenyl]-2-(cyclopropylamino)acetamide?
The InChIKey is QEQOGBDVZNRNLE-UHFFFAOYSA-N. The full InChI is InChI=1S/C12H16N4O2/c13-12(18)16-10-3-1-2-9(6-10)15-11(17)7-14-8-4-5-8/h1-3,6,8,14H,4-5,7H2,(H,15,17)(H3,13,16,18).
What are the key properties of N-[3-(carbamoylamino)phenyl]-2-(cyclopropylamino)acetamide?
N-[3-(carbamoylamino)phenyl]-2-(cyclopropylamino)acetamide has a molecular weight of 248.29 g/mol, XLogP of 0.87, 5 rotatable bonds, 4 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for N-[3-(carbamoylamino)phenyl]-2-(cyclopropylamino)acetamide is sourced from PubChem (CID 60843404), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).