methyl N-[4-[(3-methoxycyclobutyl)amino]phenyl]carbamate

C13H18N2O3 — CID 104870398

IUPACmethyl N-[4-[(3-methoxycyclobutyl)amino]phenyl]carbamate
SMILESCOC(=O)Nc1ccc(NC2CC(OC)C2)cc1
InChIInChI=1S/C13H18N2O3/c1-17-12-7-11(8-12)14-9-3-5-10(6-4-9)15-13(16)18-2/h3-6,11-12,14H,7-8H2,1-2H3,(H,15,16)
InChIKeyMPWXPXRMGBFGLA-UHFFFAOYSA-N
MW250.30 g/mol
LogP2.45
Rot. Bonds4

About methyl N-[4-[(3-methoxycyclobutyl)amino]phenyl]carbamate

methyl N-[4-[(3-methoxycyclobutyl)amino]phenyl]carbamate (PubChem CID 104870398) has the molecular formula C13H18N2O3 and a molecular weight of 250.30 g/mol. Its IUPAC name is methyl N-[4-[(3-methoxycyclobutyl)amino]phenyl]carbamate.

Molecular Properties

Compound Namemethyl N-[4-[(3-methoxycyclobutyl)amino]phenyl]carbamate
PubChem CID104870398
Molecular FormulaC13H18N2O3
Molecular Weight250.30 g/mol
Exact Mass250.13
IUPAC Namemethyl N-[4-[(3-methoxycyclobutyl)amino]phenyl]carbamate
SMILESCOC(=O)Nc1ccc(NC2CC(OC)C2)cc1
InChIInChI=1S/C13H18N2O3/c1-17-12-7-11(8-12)14-9-3-5-10(6-4-9)15-13(16)18-2/h3-6,11-12,14H,7-8H2,1-2H3,(H,15,16)
InChIKeyMPWXPXRMGBFGLA-UHFFFAOYSA-N
XLogP2.45
TPSA59.59 Ų
H-Bond Donors2
H-Bond Acceptors4
Rotatable Bonds4
Heavy Atoms18
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500250.30
LogP ≤ 52.45
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 104

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Related Compounds

methyl N-[4-(cyclooctylamino)phenyl]carbamate
CID 43730245
methyl N-[4-[(4-hydroxycyclohexyl)amino]phenyl]carbamate
CID 106594042
methyl N-[4-[(4-ethylcyclohexyl)amino]phenyl]carbamate
CID 43730246
propan-2-yl 4-[(3-methoxycyclobutyl)amino]benzoate
CID 106821328
tert-butyl N-[2-methoxy-4-[(3-methoxycyclobutyl)amino]phenyl]carbamate
CID 104870570
4-[(3-methoxycyclobutyl)amino]benzenesulfonamide
CID 106821257
tert-butyl N-[4-[1-[(3-methoxycyclobutyl)amino]ethyl]phenyl]carbamate
CID 107253415
2-methoxy-N-[4-[(3-methoxycyclohexyl)amino]phenyl]acetamide
CID 106871777
N-(3-methoxycyclobutyl)-4-propan-2-yloxyaniline
CID 104870363
methyl N-[4-[(1-cyclopropylpyrrolidin-3-yl)amino]phenyl]carbamate
CID 62980774
N-[4-fluoro-3-[(3-methoxycyclobutyl)amino]phenyl]acetamide
CID 104870720
methyl N-[4-[(2-methoxycyclohexyl)amino]phenyl]carbamate
CID 43788003

Frequently Asked Questions

What is the IUPAC name of methyl N-[4-[(3-methoxycyclobutyl)amino]phenyl]carbamate?
The IUPAC name of methyl N-[4-[(3-methoxycyclobutyl)amino]phenyl]carbamate (CID 104870398) is methyl N-[4-[(3-methoxycyclobutyl)amino]phenyl]carbamate.
What is the SMILES notation for methyl N-[4-[(3-methoxycyclobutyl)amino]phenyl]carbamate?
The canonical SMILES for methyl N-[4-[(3-methoxycyclobutyl)amino]phenyl]carbamate is COC(=O)Nc1ccc(NC2CC(OC)C2)cc1.
What is the InChIKey of methyl N-[4-[(3-methoxycyclobutyl)amino]phenyl]carbamate?
The InChIKey is MPWXPXRMGBFGLA-UHFFFAOYSA-N. The full InChI is InChI=1S/C13H18N2O3/c1-17-12-7-11(8-12)14-9-3-5-10(6-4-9)15-13(16)18-2/h3-6,11-12,14H,7-8H2,1-2H3,(H,15,16).
What are the key properties of methyl N-[4-[(3-methoxycyclobutyl)amino]phenyl]carbamate?
methyl N-[4-[(3-methoxycyclobutyl)amino]phenyl]carbamate has a molecular weight of 250.30 g/mol, XLogP of 2.45, 4 rotatable bonds, 2 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for methyl N-[4-[(3-methoxycyclobutyl)amino]phenyl]carbamate is sourced from PubChem (CID 104870398), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).