methyl N-[3-[(1-methylazepan-4-yl)amino]phenyl]carbamate

C15H23N3O2 — CID 65070487

IUPACmethyl N-[3-[(1-methylazepan-4-yl)amino]phenyl]carbamate
SMILESCOC(=O)Nc1cccc(NC2CCCN(C)CC2)c1
InChIInChI=1S/C15H23N3O2/c1-18-9-4-7-12(8-10-18)16-13-5-3-6-14(11-13)17-15(19)20-2/h3,5-6,11-12,16H,4,7-10H2,1-2H3,(H,17,19)
InChIKeyCYGOQZXEUIMAIG-UHFFFAOYSA-N
MW277.37 g/mol
LogP2.76
Rot. Bonds3

About methyl N-[3-[(1-methylazepan-4-yl)amino]phenyl]carbamate

methyl N-[3-[(1-methylazepan-4-yl)amino]phenyl]carbamate (PubChem CID 65070487) has the molecular formula C15H23N3O2 and a molecular weight of 277.37 g/mol. Its IUPAC name is methyl N-[3-[(1-methylazepan-4-yl)amino]phenyl]carbamate.

Molecular Properties

Compound Namemethyl N-[3-[(1-methylazepan-4-yl)amino]phenyl]carbamate
PubChem CID65070487
Molecular FormulaC15H23N3O2
Molecular Weight277.37 g/mol
Exact Mass277.18
IUPAC Namemethyl N-[3-[(1-methylazepan-4-yl)amino]phenyl]carbamate
SMILESCOC(=O)Nc1cccc(NC2CCCN(C)CC2)c1
InChIInChI=1S/C15H23N3O2/c1-18-9-4-7-12(8-10-18)16-13-5-3-6-14(11-13)17-15(19)20-2/h3,5-6,11-12,16H,4,7-10H2,1-2H3,(H,17,19)
InChIKeyCYGOQZXEUIMAIG-UHFFFAOYSA-N
XLogP2.76
TPSA53.60 Ų
H-Bond Donors2
H-Bond Acceptors4
Rotatable Bonds3
Heavy Atoms20
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500277.37
LogP ≤ 52.76
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 104

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Related Compounds

N-[3-[(1-methylazepan-4-yl)amino]phenyl]propanamide
CID 65071494
methyl N-[3-[(1-propan-2-ylpiperidin-4-yl)amino]phenyl]carbamate
CID 60944093
methyl N-[3-[(1-carbamoylpiperidin-4-yl)amino]phenyl]carbamate
CID 60942471
methyl N-[3-[(3-methylcyclohexyl)amino]phenyl]carbamate
CID 54864154
N-[3-(methoxymethyl)phenyl]-1-methylazepan-4-amine
CID 65070554
N-[3-[(1-methylpiperidin-4-yl)amino]phenyl]benzamide;dihydrochloride
CID 161146408
methyl N-[3-[(3-aminocyclohexyl)amino]phenyl]carbamate
CID 79459255
N-methyl-2-[3-[(1-methylazepan-4-yl)amino]phenoxy]acetamide
CID 65070020
2,6-dichloro-N-[3-[(1-methylpiperidin-4-yl)amino]phenyl]benzamide;hydrochloride
CID 11338980
1-methyl-N-(3-pyrrolidin-1-ylphenyl)azepan-4-amine
CID 65070389
2-chloro-N-[3-[(1-methylpiperidin-4-yl)amino]phenyl]benzamide;dihydrochloride
CID 66938863
N-(3-ethynylphenyl)-1-methylazepan-4-amine
CID 65071478

Frequently Asked Questions

What is the IUPAC name of methyl N-[3-[(1-methylazepan-4-yl)amino]phenyl]carbamate?
The IUPAC name of methyl N-[3-[(1-methylazepan-4-yl)amino]phenyl]carbamate (CID 65070487) is methyl N-[3-[(1-methylazepan-4-yl)amino]phenyl]carbamate.
What is the SMILES notation for methyl N-[3-[(1-methylazepan-4-yl)amino]phenyl]carbamate?
The canonical SMILES for methyl N-[3-[(1-methylazepan-4-yl)amino]phenyl]carbamate is COC(=O)Nc1cccc(NC2CCCN(C)CC2)c1.
What is the InChIKey of methyl N-[3-[(1-methylazepan-4-yl)amino]phenyl]carbamate?
The InChIKey is CYGOQZXEUIMAIG-UHFFFAOYSA-N. The full InChI is InChI=1S/C15H23N3O2/c1-18-9-4-7-12(8-10-18)16-13-5-3-6-14(11-13)17-15(19)20-2/h3,5-6,11-12,16H,4,7-10H2,1-2H3,(H,17,19).
What are the key properties of methyl N-[3-[(1-methylazepan-4-yl)amino]phenyl]carbamate?
methyl N-[3-[(1-methylazepan-4-yl)amino]phenyl]carbamate has a molecular weight of 277.37 g/mol, XLogP of 2.76, 3 rotatable bonds, 2 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for methyl N-[3-[(1-methylazepan-4-yl)amino]phenyl]carbamate is sourced from PubChem (CID 65070487), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).