4-amino-N-[4-(methylcarbamoylamino)phenyl]butanamide

C12H18N4O2 — CID 43710929

IUPAC4-amino-N-[4-(methylcarbamoylamino)phenyl]butanamide
SMILESCNC(=O)Nc1ccc(NC(=O)CCCN)cc1
InChIInChI=1S/C12H18N4O2/c1-14-12(18)16-10-6-4-9(5-7-10)15-11(17)3-2-8-13/h4-7H,2-3,8,13H2,1H3,(H,15,17)(H2,14,16,18)
InChIKeyPBWXQQYQFJRBRQ-UHFFFAOYSA-N
MW250.30 g/mol
LogP1.12
Rot. Bonds5

About 4-amino-N-[4-(methylcarbamoylamino)phenyl]butanamide

4-amino-N-[4-(methylcarbamoylamino)phenyl]butanamide (PubChem CID 43710929) has the molecular formula C12H18N4O2 and a molecular weight of 250.30 g/mol. Its IUPAC name is 4-amino-N-[4-(methylcarbamoylamino)phenyl]butanamide.

Molecular Properties

Compound Name4-amino-N-[4-(methylcarbamoylamino)phenyl]butanamide
PubChem CID43710929
Molecular FormulaC12H18N4O2
Molecular Weight250.30 g/mol
Exact Mass250.14
IUPAC Name4-amino-N-[4-(methylcarbamoylamino)phenyl]butanamide
SMILESCNC(=O)Nc1ccc(NC(=O)CCCN)cc1
InChIInChI=1S/C12H18N4O2/c1-14-12(18)16-10-6-4-9(5-7-10)15-11(17)3-2-8-13/h4-7H,2-3,8,13H2,1H3,(H,15,17)(H2,14,16,18)
InChIKeyPBWXQQYQFJRBRQ-UHFFFAOYSA-N
XLogP1.12
TPSA96.25 Ų
H-Bond Donors4
H-Bond Acceptors3
Rotatable Bonds5
Heavy Atoms18
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500250.30
LogP ≤ 51.12
H-Bond Donors ≤ 54
H-Bond Acceptors ≤ 103

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Related Compounds

2-amino-N-[4-(methylcarbamoylamino)phenyl]acetamide
CID 43710915
4-amino-N-[4-(propanoylamino)phenyl]butanamide;hydrochloride
CID 119296184
4-amino-N-[4-(carbamoylamino)phenyl]butanamide
CID 43711123
4-amino-N-(4-aminophenyl)butanamide
CID 90105668
4-amino-N-[4-(prop-2-enylcarbamoylamino)phenyl]butanamide
CID 119278038
5-amino-4-methyl-N-[4-(methylcarbamoylamino)phenyl]pentanamide
CID 82011170
4-amino-N-[4-(prop-2-enylcarbamoylamino)phenyl]butanamide;hydrochloride
CID 119278037
4-amino-N-(4-methylsulfanylphenyl)butanamide;hydrochloride
CID 119273782
4-amino-N-(4-ethylsulfonylphenyl)butanamide
CID 43704501
4-amino-N-(4-pentylphenyl)butanamide
CID 61248586
6-amino-N-[4-(carbamoylamino)phenyl]hexanamide
CID 43711108
4-(4-aminobutanoylamino)-2-chloro-N-methylbenzamide
CID 119299938

Frequently Asked Questions

What is the IUPAC name of 4-amino-N-[4-(methylcarbamoylamino)phenyl]butanamide?
The IUPAC name of 4-amino-N-[4-(methylcarbamoylamino)phenyl]butanamide (CID 43710929) is 4-amino-N-[4-(methylcarbamoylamino)phenyl]butanamide.
What is the SMILES notation for 4-amino-N-[4-(methylcarbamoylamino)phenyl]butanamide?
The canonical SMILES for 4-amino-N-[4-(methylcarbamoylamino)phenyl]butanamide is CNC(=O)Nc1ccc(NC(=O)CCCN)cc1.
What is the InChIKey of 4-amino-N-[4-(methylcarbamoylamino)phenyl]butanamide?
The InChIKey is PBWXQQYQFJRBRQ-UHFFFAOYSA-N. The full InChI is InChI=1S/C12H18N4O2/c1-14-12(18)16-10-6-4-9(5-7-10)15-11(17)3-2-8-13/h4-7H,2-3,8,13H2,1H3,(H,15,17)(H2,14,16,18).
What are the key properties of 4-amino-N-[4-(methylcarbamoylamino)phenyl]butanamide?
4-amino-N-[4-(methylcarbamoylamino)phenyl]butanamide has a molecular weight of 250.30 g/mol, XLogP of 1.12, 5 rotatable bonds, 4 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 4-amino-N-[4-(methylcarbamoylamino)phenyl]butanamide is sourced from PubChem (CID 43710929), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).