benzyl N-[1-(propoxymethyl)cyclopentyl]carbamate

C17H25NO3 — CID 11580159

IUPACbenzyl N-[1-(propoxymethyl)cyclopentyl]carbamate
SMILESCCCOCC1(NC(=O)OCc2ccccc2)CCCC1
InChIInChI=1S/C17H25NO3/c1-2-12-20-14-17(10-6-7-11-17)18-16(19)21-13-15-8-4-3-5-9-15/h3-5,8-9H,2,6-7,10-14H2,1H3,(H,18,19)
InChIKeyKAJOWDAYBOPXFA-UHFFFAOYSA-N
MW291.39 g/mol
LogP3.65
Rot. Bonds7

About benzyl N-[1-(propoxymethyl)cyclopentyl]carbamate

benzyl N-[1-(propoxymethyl)cyclopentyl]carbamate (PubChem CID 11580159) has the molecular formula C17H25NO3 and a molecular weight of 291.39 g/mol. Its IUPAC name is benzyl N-[1-(propoxymethyl)cyclopentyl]carbamate.

Molecular Properties

Compound Namebenzyl N-[1-(propoxymethyl)cyclopentyl]carbamate
PubChem CID11580159
Molecular FormulaC17H25NO3
Molecular Weight291.39 g/mol
Exact Mass291.18
IUPAC Namebenzyl N-[1-(propoxymethyl)cyclopentyl]carbamate
SMILESCCCOCC1(NC(=O)OCc2ccccc2)CCCC1
InChIInChI=1S/C17H25NO3/c1-2-12-20-14-17(10-6-7-11-17)18-16(19)21-13-15-8-4-3-5-9-15/h3-5,8-9H,2,6-7,10-14H2,1H3,(H,18,19)
InChIKeyKAJOWDAYBOPXFA-UHFFFAOYSA-N
XLogP3.65
TPSA47.56 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds7
Heavy Atoms21
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500291.39
LogP ≤ 53.65
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

Computed Properties (RDKit)

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

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Related Compounds

benzyl N-[1-(3-oxobutyl)cyclopentyl]carbamate
CID 59454089
tert-butyl 3-[1-(phenylmethoxycarbonylamino)cyclopentyl]propanoate
CID 67428133
[1-(phenylmethoxycarbonylamino)cyclopropyl]methyl benzenesulfonate
CID 149019199
benzyl N-[1-(hydroxymethyl)cyclopropyl]carbamate;[1-(phenylmethoxycarbonylamino)cyclopropyl]methyl methanesulfonate
CID 159709052
2-ethyl-1-(phenylmethoxycarbonylamino)cyclohexane-1-carboxylic acid
CID 103670874
(E)-4-[1-(phenylmethoxycarbonylamino)cyclobutyl]but-2-enoic acid
CID 167736065
tert-butyl N-[1-(phenylmethoxymethyl)cyclopropyl]carbamate
CID 10934734
benzyl N-[1-(hydroxymethyl)cyclopropyl]carbamate;ethyl 1-(phenylmethoxycarbonylamino)cyclopropane-1-carboxylate
CID 158945243
benzyl N-[(3R)-3-methylazepan-3-yl]carbamate
CID 175203765
benzyl 2-[1-(methylamino)cyclohexyl]acetate
CID 65240649
(3S)-3-(methoxymethyl)-3-(phenylmethoxycarbonylamino)pyrrolidine-1-carboxylic acid
CID 170433993
2-trimethylsilylethyl 1-(phenylmethoxycarbonylamino)cyclohexane-1-carboxylate
CID 23252917

Frequently Asked Questions

What is the IUPAC name of benzyl N-[1-(propoxymethyl)cyclopentyl]carbamate?
The IUPAC name of benzyl N-[1-(propoxymethyl)cyclopentyl]carbamate (CID 11580159) is benzyl N-[1-(propoxymethyl)cyclopentyl]carbamate.
What is the SMILES notation for benzyl N-[1-(propoxymethyl)cyclopentyl]carbamate?
The canonical SMILES for benzyl N-[1-(propoxymethyl)cyclopentyl]carbamate is CCCOCC1(NC(=O)OCc2ccccc2)CCCC1.
What is the InChIKey of benzyl N-[1-(propoxymethyl)cyclopentyl]carbamate?
The InChIKey is KAJOWDAYBOPXFA-UHFFFAOYSA-N. The full InChI is InChI=1S/C17H25NO3/c1-2-12-20-14-17(10-6-7-11-17)18-16(19)21-13-15-8-4-3-5-9-15/h3-5,8-9H,2,6-7,10-14H2,1H3,(H,18,19).
What are the key properties of benzyl N-[1-(propoxymethyl)cyclopentyl]carbamate?
benzyl N-[1-(propoxymethyl)cyclopentyl]carbamate has a molecular weight of 291.39 g/mol, XLogP of 3.65, 7 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for benzyl N-[1-(propoxymethyl)cyclopentyl]carbamate is sourced from PubChem (CID 11580159), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).