benzyl 3-[(3-methoxyoxan-4-yl)amino]cyclopentane-1-carboxylate;ethane;propane

C24H41NO4 — CID 142943067

IUPACbenzyl 3-[(3-methoxyoxan-4-yl)amino]cyclopentane-1-carboxylate;ethane;propane
SMILESCC.CCC.COC1COCCC1NC1CCC(C(=O)OCc2ccccc2)C1
InChIInChI=1S/C19H27NO4.C3H8.C2H6/c1-22-18-13-23-10-9-17(18)20-16-8-7-15(11-16)19(21)24-12-14-5-3-2-4-6-14;1-3-2;1-2/h2-6,15-18,20H,7-13H2,1H3;3H2,1-2H3;1-2H3
InChIKeyZMHMPJQXMYAJGY-UHFFFAOYSA-N
MW407.60 g/mol
LogP4.73
Rot. Bonds6

About benzyl 3-[(3-methoxyoxan-4-yl)amino]cyclopentane-1-carboxylate;ethane;propane

benzyl 3-[(3-methoxyoxan-4-yl)amino]cyclopentane-1-carboxylate;ethane;propane (PubChem CID 142943067) has the molecular formula C24H41NO4 and a molecular weight of 407.60 g/mol. Its IUPAC name is benzyl 3-[(3-methoxyoxan-4-yl)amino]cyclopentane-1-carboxylate;ethane;propane.

Molecular Properties

Compound Namebenzyl 3-[(3-methoxyoxan-4-yl)amino]cyclopentane-1-carboxylate;ethane;propane
PubChem CID142943067
Molecular FormulaC24H41NO4
Molecular Weight407.60 g/mol
Exact Mass407.30
IUPAC Namebenzyl 3-[(3-methoxyoxan-4-yl)amino]cyclopentane-1-carboxylate;ethane;propane
SMILESCC.CCC.COC1COCCC1NC1CCC(C(=O)OCc2ccccc2)C1
InChIInChI=1S/C19H27NO4.C3H8.C2H6/c1-22-18-13-23-10-9-17(18)20-16-8-7-15(11-16)19(21)24-12-14-5-3-2-4-6-14;1-3-2;1-2/h2-6,15-18,20H,7-13H2,1H3;3H2,1-2H3;1-2H3
InChIKeyZMHMPJQXMYAJGY-UHFFFAOYSA-N
XLogP4.73
TPSA56.79 Ų
H-Bond Donors1
H-Bond Acceptors5
Rotatable Bonds6
Heavy Atoms29
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500407.60
LogP ≤ 54.73
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 105

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Related Compounds

benzyl (3R)-3-[(3-methyloxan-4-yl)amino]cyclopentane-1-carboxylate
CID 143085750
trans-benzyl (1S,3R)-3-[(3-methoxyoxan-4-yl)amino]-1-propan-2-ylcyclopentane-1-carboxylate
CID 58784515
dibenzyl cyclopentane-1,3-dicarboxylate
CID 90178451
benzyl 3-methoxycyclopentane-1-carboxylate
CID 175265399
benzyl 4-methoxycyclohexane-1-carboxylate
CID 118262723
benzyl N-[(3S,4S)-3-methyloxan-4-yl]carbamate
CID 59735018
benzyl (3S,5S)-5-methyloxolane-3-carboxylate
CID 102519565
cis-methyl (1S,3R)-3-(phenylmethoxycarbonylamino)cyclohexane-1-carboxylate
CID 124632395
benzyl 3-(propan-2-ylideneamino)cyclopentane-1-carboxylate
CID 23533654
benzyl 4-[(3-hydroxy-1-methoxy-1-oxobutan-2-yl)carbamoyl]cyclohexane-1-carboxylate
CID 146344524
benzyl N-[(1S,3R)-3-hydroxycyclopentyl]carbamate;benzyl N-[(1R,3S)-3-hydroxycyclopentyl]carbamate
CID 138958096
benzyl (4R)-5-hydroxy-4-phenylmethoxyoxane-2-carboxylate
CID 66677365

Frequently Asked Questions

What is the IUPAC name of benzyl 3-[(3-methoxyoxan-4-yl)amino]cyclopentane-1-carboxylate;ethane;propane?
The IUPAC name of benzyl 3-[(3-methoxyoxan-4-yl)amino]cyclopentane-1-carboxylate;ethane;propane (CID 142943067) is benzyl 3-[(3-methoxyoxan-4-yl)amino]cyclopentane-1-carboxylate;ethane;propane.
What is the SMILES notation for benzyl 3-[(3-methoxyoxan-4-yl)amino]cyclopentane-1-carboxylate;ethane;propane?
The canonical SMILES for benzyl 3-[(3-methoxyoxan-4-yl)amino]cyclopentane-1-carboxylate;ethane;propane is CC.CCC.COC1COCCC1NC1CCC(C(=O)OCc2ccccc2)C1.
What is the InChIKey of benzyl 3-[(3-methoxyoxan-4-yl)amino]cyclopentane-1-carboxylate;ethane;propane?
The InChIKey is ZMHMPJQXMYAJGY-UHFFFAOYSA-N. The full InChI is InChI=1S/C19H27NO4.C3H8.C2H6/c1-22-18-13-23-10-9-17(18)20-16-8-7-15(11-16)19(21)24-12-14-5-3-2-4-6-14;1-3-2;1-2/h2-6,15-18,20H,7-13H2,1H3;3H2,1-2H3;1-2H3.
What are the key properties of benzyl 3-[(3-methoxyoxan-4-yl)amino]cyclopentane-1-carboxylate;ethane;propane?
benzyl 3-[(3-methoxyoxan-4-yl)amino]cyclopentane-1-carboxylate;ethane;propane has a molecular weight of 407.60 g/mol, XLogP of 4.73, 6 rotatable bonds, 1 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for benzyl 3-[(3-methoxyoxan-4-yl)amino]cyclopentane-1-carboxylate;ethane;propane is sourced from PubChem (CID 142943067), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).