2-(butan-2-ylamino)-N-[4-(carbamoylamino)phenyl]acetamide

C13H20N4O2 — CID 60852680

IUPAC2-(butan-2-ylamino)-N-[4-(carbamoylamino)phenyl]acetamide
SMILESCCC(C)NCC(=O)Nc1ccc(NC(N)=O)cc1
InChIInChI=1S/C13H20N4O2/c1-3-9(2)15-8-12(18)16-10-4-6-11(7-5-10)17-13(14)19/h4-7,9,15H,3,8H2,1-2H3,(H,16,18)(H3,14,17,19)
InChIKeyXVTCLLJIDBPFPZ-UHFFFAOYSA-N
MW264.33 g/mol
LogP1.50
Rot. Bonds6

About 2-(butan-2-ylamino)-N-[4-(carbamoylamino)phenyl]acetamide

2-(butan-2-ylamino)-N-[4-(carbamoylamino)phenyl]acetamide (PubChem CID 60852680) has the molecular formula C13H20N4O2 and a molecular weight of 264.33 g/mol. Its IUPAC name is 2-(butan-2-ylamino)-N-[4-(carbamoylamino)phenyl]acetamide.

Molecular Properties

Compound Name2-(butan-2-ylamino)-N-[4-(carbamoylamino)phenyl]acetamide
PubChem CID60852680
Molecular FormulaC13H20N4O2
Molecular Weight264.33 g/mol
Exact Mass264.16
IUPAC Name2-(butan-2-ylamino)-N-[4-(carbamoylamino)phenyl]acetamide
SMILESCCC(C)NCC(=O)Nc1ccc(NC(N)=O)cc1
InChIInChI=1S/C13H20N4O2/c1-3-9(2)15-8-12(18)16-10-4-6-11(7-5-10)17-13(14)19/h4-7,9,15H,3,8H2,1-2H3,(H,16,18)(H3,14,17,19)
InChIKeyXVTCLLJIDBPFPZ-UHFFFAOYSA-N
XLogP1.50
TPSA96.25 Ų
H-Bond Donors4
H-Bond Acceptors3
Rotatable Bonds6
Heavy Atoms19
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500264.33
LogP ≤ 51.50
H-Bond Donors ≤ 54
H-Bond Acceptors ≤ 103

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Related Compounds

N-(4-bromophenyl)-2-(butan-2-ylamino)acetamide
CID 43179384
2-(butan-2-ylamino)-N-(4-chlorophenyl)acetamide
CID 43179385
2-[[(2S)-butan-2-yl]amino]-N-(4-fluorophenyl)acetamide
CID 28565900
2-(butan-2-ylamino)-N-[4-(ethylsulfamoyl)phenyl]acetamide
CID 60852490
2-(butan-2-ylamino)-N-(4-butylphenyl)acetamide
CID 54917864
2-(butan-2-ylamino)-N-(4-pyrrolidin-1-ylphenyl)acetamide
CID 60661179
4-[[2-(butan-2-ylamino)acetyl]amino]-2-chlorobenzamide
CID 54925002
5-[[2-(butan-2-ylamino)acetyl]amino]-2-fluorobenzamide
CID 60853756
2-[[(2S)-butan-2-yl]amino]-N-(3-methylphenyl)acetamide
CID 2386923
2-(butan-2-ylamino)-N-(3-hydroxyphenyl)acetamide
CID 61166125
2-(butan-2-ylamino)-N-(4-chloro-3-fluorophenyl)acetamide
CID 54924903
2-[[2-(4-carbamoylanilino)-2-oxoethyl]amino]propanoic acid
CID 43467013

Frequently Asked Questions

What is the IUPAC name of 2-(butan-2-ylamino)-N-[4-(carbamoylamino)phenyl]acetamide?
The IUPAC name of 2-(butan-2-ylamino)-N-[4-(carbamoylamino)phenyl]acetamide (CID 60852680) is 2-(butan-2-ylamino)-N-[4-(carbamoylamino)phenyl]acetamide.
What is the SMILES notation for 2-(butan-2-ylamino)-N-[4-(carbamoylamino)phenyl]acetamide?
The canonical SMILES for 2-(butan-2-ylamino)-N-[4-(carbamoylamino)phenyl]acetamide is CCC(C)NCC(=O)Nc1ccc(NC(N)=O)cc1.
What is the InChIKey of 2-(butan-2-ylamino)-N-[4-(carbamoylamino)phenyl]acetamide?
The InChIKey is XVTCLLJIDBPFPZ-UHFFFAOYSA-N. The full InChI is InChI=1S/C13H20N4O2/c1-3-9(2)15-8-12(18)16-10-4-6-11(7-5-10)17-13(14)19/h4-7,9,15H,3,8H2,1-2H3,(H,16,18)(H3,14,17,19).
What are the key properties of 2-(butan-2-ylamino)-N-[4-(carbamoylamino)phenyl]acetamide?
2-(butan-2-ylamino)-N-[4-(carbamoylamino)phenyl]acetamide has a molecular weight of 264.33 g/mol, XLogP of 1.50, 6 rotatable bonds, 4 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 2-(butan-2-ylamino)-N-[4-(carbamoylamino)phenyl]acetamide is sourced from PubChem (CID 60852680), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).