benzyl N-[3-[(2-methylcycloheptyl)amino]cyclobutyl]carbamate

C20H30N2O2 — CID 103393513

IUPACbenzyl N-[3-[(2-methylcycloheptyl)amino]cyclobutyl]carbamate
SMILESCC1CCCCCC1NC1CC(NC(=O)OCc2ccccc2)C1
InChIInChI=1S/C20H30N2O2/c1-15-8-4-2-7-11-19(15)21-17-12-18(13-17)22-20(23)24-14-16-9-5-3-6-10-16/h3,5-6,9-10,15,17-19,21H,2,4,7-8,11-14H2,1H3,(H,22,23)
InChIKeyNAJKGDSSRWANJC-UHFFFAOYSA-N
MW330.47 g/mol
LogP4.00
Rot. Bonds5

About benzyl N-[3-[(2-methylcycloheptyl)amino]cyclobutyl]carbamate

benzyl N-[3-[(2-methylcycloheptyl)amino]cyclobutyl]carbamate (PubChem CID 103393513) has the molecular formula C20H30N2O2 and a molecular weight of 330.47 g/mol. Its IUPAC name is benzyl N-[3-[(2-methylcycloheptyl)amino]cyclobutyl]carbamate.

Molecular Properties

Compound Namebenzyl N-[3-[(2-methylcycloheptyl)amino]cyclobutyl]carbamate
PubChem CID103393513
Molecular FormulaC20H30N2O2
Molecular Weight330.47 g/mol
Exact Mass330.23
IUPAC Namebenzyl N-[3-[(2-methylcycloheptyl)amino]cyclobutyl]carbamate
SMILESCC1CCCCCC1NC1CC(NC(=O)OCc2ccccc2)C1
InChIInChI=1S/C20H30N2O2/c1-15-8-4-2-7-11-19(15)21-17-12-18(13-17)22-20(23)24-14-16-9-5-3-6-10-16/h3,5-6,9-10,15,17-19,21H,2,4,7-8,11-14H2,1H3,(H,22,23)
InChIKeyNAJKGDSSRWANJC-UHFFFAOYSA-N
XLogP4.00
TPSA50.36 Ų
H-Bond Donors2
H-Bond Acceptors3
Rotatable Bonds5
Heavy Atoms24
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500330.47
LogP ≤ 54.00
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 103

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Related Compounds

benzyl N-[3,5-bis(phenylmethoxycarbonylamino)cyclohexyl]carbamate
CID 102080822
benzyl N-[3-[[(1R)-1-cyclohexylethyl]amino]cyclobutyl]carbamate
CID 103393619
benzyl N-(3-methylcyclohexyl)carbamate
CID 67989254
benzyl N-[3-(2,3-dihydro-1H-inden-2-ylamino)cyclobutyl]carbamate
CID 107850007
benzyl N-cyclobutylcarbamate;carbonic acid
CID 66730699
benzyl N-(3-hydroxycyclohexyl)carbamate
CID 14476840
benzyl N-[(1S,3R)-3-hydroxycyclopentyl]carbamate;benzyl N-[(1R,3S)-3-hydroxycyclopentyl]carbamate
CID 138958096
benzyl N-(3-aminocyclobutyl)carbamate;hydrochloride
CID 122164408
benzyl N-(3-iodocyclobutyl)carbamate
CID 177035256
benzyl N-[(1R,2R)-2-(phenylmethoxycarbonylamino)cyclopropyl]carbamate
CID 11859602
benzyl N-[(3S,4S)-3-methyloxan-4-yl]carbamate
CID 59735018
cis-methyl (1S,3R)-3-(phenylmethoxycarbonylamino)cyclohexane-1-carboxylate
CID 124632395

Frequently Asked Questions

What is the IUPAC name of benzyl N-[3-[(2-methylcycloheptyl)amino]cyclobutyl]carbamate?
The IUPAC name of benzyl N-[3-[(2-methylcycloheptyl)amino]cyclobutyl]carbamate (CID 103393513) is benzyl N-[3-[(2-methylcycloheptyl)amino]cyclobutyl]carbamate.
What is the SMILES notation for benzyl N-[3-[(2-methylcycloheptyl)amino]cyclobutyl]carbamate?
The canonical SMILES for benzyl N-[3-[(2-methylcycloheptyl)amino]cyclobutyl]carbamate is CC1CCCCCC1NC1CC(NC(=O)OCc2ccccc2)C1.
What is the InChIKey of benzyl N-[3-[(2-methylcycloheptyl)amino]cyclobutyl]carbamate?
The InChIKey is NAJKGDSSRWANJC-UHFFFAOYSA-N. The full InChI is InChI=1S/C20H30N2O2/c1-15-8-4-2-7-11-19(15)21-17-12-18(13-17)22-20(23)24-14-16-9-5-3-6-10-16/h3,5-6,9-10,15,17-19,21H,2,4,7-8,11-14H2,1H3,(H,22,23).
What are the key properties of benzyl N-[3-[(2-methylcycloheptyl)amino]cyclobutyl]carbamate?
benzyl N-[3-[(2-methylcycloheptyl)amino]cyclobutyl]carbamate has a molecular weight of 330.47 g/mol, XLogP of 4.00, 5 rotatable bonds, 2 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for benzyl N-[3-[(2-methylcycloheptyl)amino]cyclobutyl]carbamate is sourced from PubChem (CID 103393513), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).