(2S,5R)-5-(aminomethyl)-N-[(3-chlorophenyl)-cyclohexylmethyl]oxolane-2-carboxamide

C19H27ClN2O2 — CID 120795524

IUPAC(2S,5R)-5-(aminomethyl)-N-[(3-chlorophenyl)-cyclohexylmethyl]oxolane-2-carboxamide
SMILESNC[C@H]1CC[C@@H](C(=O)NC(c2cccc(Cl)c2)C2CCCCC2)O1
InChIInChI=1S/C19H27ClN2O2/c20-15-8-4-7-14(11-15)18(13-5-2-1-3-6-13)22-19(23)17-10-9-16(12-21)24-17/h4,7-8,11,13,16-18H,1-3,5-6,9-10,12,21H2,(H,22,23)/t16-,17+,18?/m1/s1
InChIKeyTYBGNWNGTAEMDY-DVKDBIPTSA-N
MW350.89 g/mol
LogP3.58
Rot. Bonds5

About (2S,5R)-5-(aminomethyl)-N-[(3-chlorophenyl)-cyclohexylmethyl]oxolane-2-carboxamide

(2S,5R)-5-(aminomethyl)-N-[(3-chlorophenyl)-cyclohexylmethyl]oxolane-2-carboxamide (PubChem CID 120795524) has the molecular formula C19H27ClN2O2 and a molecular weight of 350.89 g/mol. Its IUPAC name is (2S,5R)-5-(aminomethyl)-N-[(3-chlorophenyl)-cyclohexylmethyl]oxolane-2-carboxamide.

Molecular Properties

Compound Name(2S,5R)-5-(aminomethyl)-N-[(3-chlorophenyl)-cyclohexylmethyl]oxolane-2-carboxamide
PubChem CID120795524
Molecular FormulaC19H27ClN2O2
Molecular Weight350.89 g/mol
Exact Mass350.18
IUPAC Name(2S,5R)-5-(aminomethyl)-N-[(3-chlorophenyl)-cyclohexylmethyl]oxolane-2-carboxamide
SMILESNC[C@H]1CC[C@@H](C(=O)NC(c2cccc(Cl)c2)C2CCCCC2)O1
InChIInChI=1S/C19H27ClN2O2/c20-15-8-4-7-14(11-15)18(13-5-2-1-3-6-13)22-19(23)17-10-9-16(12-21)24-17/h4,7-8,11,13,16-18H,1-3,5-6,9-10,12,21H2,(H,22,23)/t16-,17+,18?/m1/s1
InChIKeyTYBGNWNGTAEMDY-DVKDBIPTSA-N
XLogP3.58
TPSA64.35 Ų
H-Bond Donors2
H-Bond Acceptors3
Rotatable Bonds5
Heavy Atoms24
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500350.89
LogP ≤ 53.58
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 103

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Related Compounds

(2S,5R)-5-(aminomethyl)-N-[(4-bromophenyl)-cyclobutylmethyl]oxolane-2-carboxamide
CID 120788978
3-amino-N-[(S)-(3-chlorophenyl)-cyclopentylmethyl]cyclobutane-1-carboxamide
CID 170580293
(2S,5R)-5-(aminomethyl)-N-[cyclopropyl-(2-methylphenyl)methyl]oxolane-2-carboxamide
CID 120793016
(2S,5R)-5-(aminomethyl)-N-[2-(3-chlorophenyl)propan-2-yl]oxolane-2-carboxamide;hydrochloride
CID 120794225
(2S,5R)-5-(aminomethyl)-N-[2,2-dimethyl-1-(3-methylphenyl)propyl]oxolane-2-carboxamide
CID 120795396
(2S,5R)-5-(aminomethyl)-N-(1-cyclopentylethyl)oxolane-2-carboxamide;hydrochloride
CID 120792979
1-[(3-chlorophenyl)-cyclopentylmethyl]-3-(3-hydroxycyclopentyl)urea
CID 170581158
3-acetamido-N-[(S)-(3-chlorophenyl)-cyclopentylmethyl]cyclohexane-1-carboxamide
CID 170578738
1-[(S)-(3-chlorophenyl)-cyclopentylmethyl]-3-[(3-methyl-1,2-oxazol-5-yl)methyl]urea
CID 170580700
(2S,5R)-5-(aminomethyl)-N-(1,2-diphenylethyl)oxolane-2-carboxamide
CID 120784380
(2S,5R)-5-(aminomethyl)-N-[2-(3,5-dichlorophenyl)-2-hydroxyethyl]oxolane-2-carboxamide
CID 120793942
(2S,5R)-5-(aminomethyl)-N-(4-chloro-2-methylphenyl)oxolane-2-carboxamide;hydrochloride
CID 120782775

Frequently Asked Questions

What is the IUPAC name of (2S,5R)-5-(aminomethyl)-N-[(3-chlorophenyl)-cyclohexylmethyl]oxolane-2-carboxamide?
The IUPAC name of (2S,5R)-5-(aminomethyl)-N-[(3-chlorophenyl)-cyclohexylmethyl]oxolane-2-carboxamide (CID 120795524) is (2S,5R)-5-(aminomethyl)-N-[(3-chlorophenyl)-cyclohexylmethyl]oxolane-2-carboxamide.
What is the SMILES notation for (2S,5R)-5-(aminomethyl)-N-[(3-chlorophenyl)-cyclohexylmethyl]oxolane-2-carboxamide?
The canonical SMILES for (2S,5R)-5-(aminomethyl)-N-[(3-chlorophenyl)-cyclohexylmethyl]oxolane-2-carboxamide is NC[C@H]1CC[C@@H](C(=O)NC(c2cccc(Cl)c2)C2CCCCC2)O1.
What is the InChIKey of (2S,5R)-5-(aminomethyl)-N-[(3-chlorophenyl)-cyclohexylmethyl]oxolane-2-carboxamide?
The InChIKey is TYBGNWNGTAEMDY-DVKDBIPTSA-N. The full InChI is InChI=1S/C19H27ClN2O2/c20-15-8-4-7-14(11-15)18(13-5-2-1-3-6-13)22-19(23)17-10-9-16(12-21)24-17/h4,7-8,11,13,16-18H,1-3,5-6,9-10,12,21H2,(H,22,23)/t16-,17+,18?/m1/s1.
What are the key properties of (2S,5R)-5-(aminomethyl)-N-[(3-chlorophenyl)-cyclohexylmethyl]oxolane-2-carboxamide?
(2S,5R)-5-(aminomethyl)-N-[(3-chlorophenyl)-cyclohexylmethyl]oxolane-2-carboxamide has a molecular weight of 350.89 g/mol, XLogP of 3.58, 5 rotatable bonds, 2 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for (2S,5R)-5-(aminomethyl)-N-[(3-chlorophenyl)-cyclohexylmethyl]oxolane-2-carboxamide is sourced from PubChem (CID 120795524), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).