(2S,5R)-5-(aminomethyl)-N-[(2-chlorophenyl)methyl]-N-cyclopentyloxolane-2-carboxamide

C18H25ClN2O2 — CID 120792350

IUPAC(2S,5R)-5-(aminomethyl)-N-[(2-chlorophenyl)methyl]-N-cyclopentyloxolane-2-carboxamide
SMILESNC[C@H]1CC[C@@H](C(=O)N(Cc2ccccc2Cl)C2CCCC2)O1
InChIInChI=1S/C18H25ClN2O2/c19-16-8-4-1-5-13(16)12-21(14-6-2-3-7-14)18(22)17-10-9-15(11-20)23-17/h1,4-5,8,14-15,17H,2-3,6-7,9-12,20H2/t15-,17+/m1/s1
InChIKeyVAIMQVPMOBXOLV-WBVHZDCISA-N
MW336.86 g/mol
LogP3.12
Rot. Bonds5

About (2S,5R)-5-(aminomethyl)-N-[(2-chlorophenyl)methyl]-N-cyclopentyloxolane-2-carboxamide

(2S,5R)-5-(aminomethyl)-N-[(2-chlorophenyl)methyl]-N-cyclopentyloxolane-2-carboxamide (PubChem CID 120792350) has the molecular formula C18H25ClN2O2 and a molecular weight of 336.86 g/mol. Its IUPAC name is (2S,5R)-5-(aminomethyl)-N-[(2-chlorophenyl)methyl]-N-cyclopentyloxolane-2-carboxamide.

Molecular Properties

Compound Name(2S,5R)-5-(aminomethyl)-N-[(2-chlorophenyl)methyl]-N-cyclopentyloxolane-2-carboxamide
PubChem CID120792350
Molecular FormulaC18H25ClN2O2
Molecular Weight336.86 g/mol
Exact Mass336.16
IUPAC Name(2S,5R)-5-(aminomethyl)-N-[(2-chlorophenyl)methyl]-N-cyclopentyloxolane-2-carboxamide
SMILESNC[C@H]1CC[C@@H](C(=O)N(Cc2ccccc2Cl)C2CCCC2)O1
InChIInChI=1S/C18H25ClN2O2/c19-16-8-4-1-5-13(16)12-21(14-6-2-3-7-14)18(22)17-10-9-15(11-20)23-17/h1,4-5,8,14-15,17H,2-3,6-7,9-12,20H2/t15-,17+/m1/s1
InChIKeyVAIMQVPMOBXOLV-WBVHZDCISA-N
XLogP3.12
TPSA55.56 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds5
Heavy Atoms23
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500336.86
LogP ≤ 53.12
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

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Related Compounds

(2S,5R)-5-(aminomethyl)-N-cyclopentyl-N-[[2-(trifluoromethyl)phenyl]methyl]oxolane-2-carboxamide
CID 120792352
(2S,5R)-5-(aminomethyl)-N-[(4-chlorophenyl)methyl]-N-cyclopropyloxolane-2-carboxamide
CID 120786668
[5-(aminomethyl)oxolan-2-yl]-(2-chlorophenyl)methanone
CID 116589032
(2S,5R)-5-(aminomethyl)-N-[1-(2-chlorophenyl)ethyl]-N-cyclopropyloxolane-2-carboxamide
CID 120786660
1-[4-[(2S,5R)-5-(aminomethyl)oxolane-2-carbonyl]piperazin-1-yl]-2-(2-chlorophenyl)ethanone
CID 120790270
(2S,5R)-5-(aminomethyl)-N-[1-(2-chlorophenyl)-2-methylpropan-2-yl]oxolane-2-carboxamide
CID 120792156
(2S,5R)-5-(aminomethyl)-N-[2-[[cyclohexyl(methyl)amino]methyl]phenyl]oxolane-2-carboxamide
CID 120796874
(2S,5R)-5-(aminomethyl)-N-cyclopropyl-N-[[4-(trifluoromethyl)phenyl]methyl]oxolane-2-carboxamide;hydrochloride
CID 120786657
(2S,5R)-5-(aminomethyl)-N-[2-[[cyclohexyl(methyl)amino]methyl]phenyl]oxolane-2-carboxamide;dihydrochloride
CID 120796873
N-[(2-chlorophenyl)methyl]-N-cyclopentyl-2-(methylamino)acetamide
CID 119776374
1-[(2-chlorophenyl)methyl]-1-cyclopentyl-3-phenylurea
CID 151779518
(2S,5R)-5-(aminomethyl)-N-cycloheptyl-N-methyloxolane-2-carboxamide
CID 120784974

Frequently Asked Questions

What is the IUPAC name of (2S,5R)-5-(aminomethyl)-N-[(2-chlorophenyl)methyl]-N-cyclopentyloxolane-2-carboxamide?
The IUPAC name of (2S,5R)-5-(aminomethyl)-N-[(2-chlorophenyl)methyl]-N-cyclopentyloxolane-2-carboxamide (CID 120792350) is (2S,5R)-5-(aminomethyl)-N-[(2-chlorophenyl)methyl]-N-cyclopentyloxolane-2-carboxamide.
What is the SMILES notation for (2S,5R)-5-(aminomethyl)-N-[(2-chlorophenyl)methyl]-N-cyclopentyloxolane-2-carboxamide?
The canonical SMILES for (2S,5R)-5-(aminomethyl)-N-[(2-chlorophenyl)methyl]-N-cyclopentyloxolane-2-carboxamide is NC[C@H]1CC[C@@H](C(=O)N(Cc2ccccc2Cl)C2CCCC2)O1.
What is the InChIKey of (2S,5R)-5-(aminomethyl)-N-[(2-chlorophenyl)methyl]-N-cyclopentyloxolane-2-carboxamide?
The InChIKey is VAIMQVPMOBXOLV-WBVHZDCISA-N. The full InChI is InChI=1S/C18H25ClN2O2/c19-16-8-4-1-5-13(16)12-21(14-6-2-3-7-14)18(22)17-10-9-15(11-20)23-17/h1,4-5,8,14-15,17H,2-3,6-7,9-12,20H2/t15-,17+/m1/s1.
What are the key properties of (2S,5R)-5-(aminomethyl)-N-[(2-chlorophenyl)methyl]-N-cyclopentyloxolane-2-carboxamide?
(2S,5R)-5-(aminomethyl)-N-[(2-chlorophenyl)methyl]-N-cyclopentyloxolane-2-carboxamide has a molecular weight of 336.86 g/mol, XLogP of 3.12, 5 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for (2S,5R)-5-(aminomethyl)-N-[(2-chlorophenyl)methyl]-N-cyclopentyloxolane-2-carboxamide is sourced from PubChem (CID 120792350), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).