methyl N-[4-[4-(methylamino)butanoylamino]phenyl]carbamate

C13H19N3O3 — CID 60841899

IUPACmethyl N-[4-[4-(methylamino)butanoylamino]phenyl]carbamate
SMILESCNCCCC(=O)Nc1ccc(NC(=O)OC)cc1
InChIInChI=1S/C13H19N3O3/c1-14-9-3-4-12(17)15-10-5-7-11(8-6-10)16-13(18)19-2/h5-8,14H,3-4,9H2,1-2H3,(H,15,17)(H,16,18)
InChIKeyUALZYXBKYFODIQ-UHFFFAOYSA-N
MW265.31 g/mol
LogP1.80
Rot. Bonds6

About methyl N-[4-[4-(methylamino)butanoylamino]phenyl]carbamate

methyl N-[4-[4-(methylamino)butanoylamino]phenyl]carbamate (PubChem CID 60841899) has the molecular formula C13H19N3O3 and a molecular weight of 265.31 g/mol. Its IUPAC name is methyl N-[4-[4-(methylamino)butanoylamino]phenyl]carbamate.

Molecular Properties

Compound Namemethyl N-[4-[4-(methylamino)butanoylamino]phenyl]carbamate
PubChem CID60841899
Molecular FormulaC13H19N3O3
Molecular Weight265.31 g/mol
Exact Mass265.14
IUPAC Namemethyl N-[4-[4-(methylamino)butanoylamino]phenyl]carbamate
SMILESCNCCCC(=O)Nc1ccc(NC(=O)OC)cc1
InChIInChI=1S/C13H19N3O3/c1-14-9-3-4-12(17)15-10-5-7-11(8-6-10)16-13(18)19-2/h5-8,14H,3-4,9H2,1-2H3,(H,15,17)(H,16,18)
InChIKeyUALZYXBKYFODIQ-UHFFFAOYSA-N
XLogP1.80
TPSA79.46 Ų
H-Bond Donors3
H-Bond Acceptors4
Rotatable Bonds6
Heavy Atoms19
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500265.31
LogP ≤ 51.80
H-Bond Donors ≤ 53
H-Bond Acceptors ≤ 104

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'Aliphatic_long_chain', 'substructure': 'N/A'}

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Related Compounds

4-(methylamino)-N-(4-methylphenyl)butanamide
CID 60842217
N-(4-acetylphenyl)-4-(methylamino)butanamide
CID 61258439
N-(4-ethoxyphenyl)-4-(methylamino)butanamide;hydrochloride
CID 119670696
4-(methylamino)-N-phenylbutanamide;hydrochloride
CID 75493451
methyl N-[4-(butanoylamino)phenyl]carbamate
CID 47251296
2-[4-[4-(methylamino)butanoylamino]phenoxy]acetic acid
CID 63745885
methyl N-[4-[3-(ethylamino)propanoylamino]phenyl]carbamate
CID 62831983
N-(3,4-dimethylphenyl)-4-(methylamino)butanamide
CID 60842744
N-(4-ethylsulfonylphenyl)-4-(methylamino)butanamide
CID 60842770
N-[4-[4-(methylamino)butanoylamino]phenyl]cyclopropanecarboxamide
CID 61251881
4-(methylamino)-N-[4-(propan-2-yloxymethyl)phenyl]butanamide
CID 119742858
N-(3,4-difluorophenyl)-4-(methylamino)butanamide
CID 60843097

Frequently Asked Questions

What is the IUPAC name of methyl N-[4-[4-(methylamino)butanoylamino]phenyl]carbamate?
The IUPAC name of methyl N-[4-[4-(methylamino)butanoylamino]phenyl]carbamate (CID 60841899) is methyl N-[4-[4-(methylamino)butanoylamino]phenyl]carbamate.
What is the SMILES notation for methyl N-[4-[4-(methylamino)butanoylamino]phenyl]carbamate?
The canonical SMILES for methyl N-[4-[4-(methylamino)butanoylamino]phenyl]carbamate is CNCCCC(=O)Nc1ccc(NC(=O)OC)cc1.
What is the InChIKey of methyl N-[4-[4-(methylamino)butanoylamino]phenyl]carbamate?
The InChIKey is UALZYXBKYFODIQ-UHFFFAOYSA-N. The full InChI is InChI=1S/C13H19N3O3/c1-14-9-3-4-12(17)15-10-5-7-11(8-6-10)16-13(18)19-2/h5-8,14H,3-4,9H2,1-2H3,(H,15,17)(H,16,18).
What are the key properties of methyl N-[4-[4-(methylamino)butanoylamino]phenyl]carbamate?
methyl N-[4-[4-(methylamino)butanoylamino]phenyl]carbamate has a molecular weight of 265.31 g/mol, XLogP of 1.80, 6 rotatable bonds, 3 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for methyl N-[4-[4-(methylamino)butanoylamino]phenyl]carbamate is sourced from PubChem (CID 60841899), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).