2-(aminomethyl)-N-[4-(methylcarbamoylamino)phenyl]butanamide

C13H20N4O2 — CID 65225076

IUPAC2-(aminomethyl)-N-[4-(methylcarbamoylamino)phenyl]butanamide
SMILESCCC(CN)C(=O)Nc1ccc(NC(=O)NC)cc1
InChIInChI=1S/C13H20N4O2/c1-3-9(8-14)12(18)16-10-4-6-11(7-5-10)17-13(19)15-2/h4-7,9H,3,8,14H2,1-2H3,(H,16,18)(H2,15,17,19)
InChIKeySXHLQEGXASKLKZ-UHFFFAOYSA-N
MW264.33 g/mol
LogP1.36
Rot. Bonds5

About 2-(aminomethyl)-N-[4-(methylcarbamoylamino)phenyl]butanamide

2-(aminomethyl)-N-[4-(methylcarbamoylamino)phenyl]butanamide (PubChem CID 65225076) has the molecular formula C13H20N4O2 and a molecular weight of 264.33 g/mol. Its IUPAC name is 2-(aminomethyl)-N-[4-(methylcarbamoylamino)phenyl]butanamide.

Molecular Properties

Compound Name2-(aminomethyl)-N-[4-(methylcarbamoylamino)phenyl]butanamide
PubChem CID65225076
Molecular FormulaC13H20N4O2
Molecular Weight264.33 g/mol
Exact Mass264.16
IUPAC Name2-(aminomethyl)-N-[4-(methylcarbamoylamino)phenyl]butanamide
SMILESCCC(CN)C(=O)Nc1ccc(NC(=O)NC)cc1
InChIInChI=1S/C13H20N4O2/c1-3-9(8-14)12(18)16-10-4-6-11(7-5-10)17-13(19)15-2/h4-7,9H,3,8,14H2,1-2H3,(H,16,18)(H2,15,17,19)
InChIKeySXHLQEGXASKLKZ-UHFFFAOYSA-N
XLogP1.36
TPSA96.25 Ų
H-Bond Donors4
H-Bond Acceptors3
Rotatable Bonds5
Heavy Atoms19
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500264.33
LogP ≤ 51.36
H-Bond Donors ≤ 54
H-Bond Acceptors ≤ 103

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Related Compounds

2-(aminomethyl)-N-[4-(2-methylpropanoylamino)phenyl]butanamide
CID 65225572
2-(aminomethyl)-N-(4-iodophenyl)butanamide
CID 65225745
2-(aminomethyl)-N-(4-phenylphenyl)butanamide
CID 62254928
2-ethyl-N-[4-[[4-(2-ethylbutanoylamino)phenyl]methyl]phenyl]butanamide
CID 2165509
2-(aminomethyl)-N-[4-(1,3-dioxolan-2-yl)phenyl]butanamide
CID 106911773
1-[4-(1-aminopropan-2-ylamino)phenyl]-3-methylurea
CID 103388916
2-amino-N-[4-(methylcarbamoylamino)phenyl]acetamide
CID 43710915
2-(aminomethyl)-N-[4-(2-methyl-1,3-thiazol-4-yl)phenyl]butanamide
CID 65228872
2-(2-ethoxyethoxy)-N-[4-(methylcarbamoylamino)phenyl]propanamide
CID 47078303
2-(aminomethyl)-N-[4-[2-(methylamino)-2-oxoethyl]phenyl]pentanamide
CID 65224864
2-(aminomethyl)-N-(3,4-dicyanophenyl)butanamide
CID 114001896
2-methyl-3-(methylamino)-N-[4-(methylcarbamoylamino)phenyl]propanamide
CID 79195690

Frequently Asked Questions

What is the IUPAC name of 2-(aminomethyl)-N-[4-(methylcarbamoylamino)phenyl]butanamide?
The IUPAC name of 2-(aminomethyl)-N-[4-(methylcarbamoylamino)phenyl]butanamide (CID 65225076) is 2-(aminomethyl)-N-[4-(methylcarbamoylamino)phenyl]butanamide.
What is the SMILES notation for 2-(aminomethyl)-N-[4-(methylcarbamoylamino)phenyl]butanamide?
The canonical SMILES for 2-(aminomethyl)-N-[4-(methylcarbamoylamino)phenyl]butanamide is CCC(CN)C(=O)Nc1ccc(NC(=O)NC)cc1.
What is the InChIKey of 2-(aminomethyl)-N-[4-(methylcarbamoylamino)phenyl]butanamide?
The InChIKey is SXHLQEGXASKLKZ-UHFFFAOYSA-N. The full InChI is InChI=1S/C13H20N4O2/c1-3-9(8-14)12(18)16-10-4-6-11(7-5-10)17-13(19)15-2/h4-7,9H,3,8,14H2,1-2H3,(H,16,18)(H2,15,17,19).
What are the key properties of 2-(aminomethyl)-N-[4-(methylcarbamoylamino)phenyl]butanamide?
2-(aminomethyl)-N-[4-(methylcarbamoylamino)phenyl]butanamide has a molecular weight of 264.33 g/mol, XLogP of 1.36, 5 rotatable bonds, 4 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 2-(aminomethyl)-N-[4-(methylcarbamoylamino)phenyl]butanamide is sourced from PubChem (CID 65225076), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).