(2S,5R)-5-(aminomethyl)-N-[1-(4-methoxyphenyl)pentyl]oxolane-2-carboxamide

C18H28N2O3 — CID 120792152

IUPAC(2S,5R)-5-(aminomethyl)-N-[1-(4-methoxyphenyl)pentyl]oxolane-2-carboxamide
SMILESCCCCC(NC(=O)[C@@H]1CC[C@H](CN)O1)c1ccc(OC)cc1
InChIInChI=1S/C18H28N2O3/c1-3-4-5-16(13-6-8-14(22-2)9-7-13)20-18(21)17-11-10-15(12-19)23-17/h6-9,15-17H,3-5,10-12,19H2,1-2H3,(H,20,21)/t15-,16?,17+/m1/s1
InChIKeyPMTWCDIESTWGHA-SKQWJGTPSA-N
MW320.43 g/mol
LogP2.55
Rot. Bonds8

About (2S,5R)-5-(aminomethyl)-N-[1-(4-methoxyphenyl)pentyl]oxolane-2-carboxamide

(2S,5R)-5-(aminomethyl)-N-[1-(4-methoxyphenyl)pentyl]oxolane-2-carboxamide (PubChem CID 120792152) has the molecular formula C18H28N2O3 and a molecular weight of 320.43 g/mol. Its IUPAC name is (2S,5R)-5-(aminomethyl)-N-[1-(4-methoxyphenyl)pentyl]oxolane-2-carboxamide.

Molecular Properties

Compound Name(2S,5R)-5-(aminomethyl)-N-[1-(4-methoxyphenyl)pentyl]oxolane-2-carboxamide
PubChem CID120792152
Molecular FormulaC18H28N2O3
Molecular Weight320.43 g/mol
Exact Mass320.21
IUPAC Name(2S,5R)-5-(aminomethyl)-N-[1-(4-methoxyphenyl)pentyl]oxolane-2-carboxamide
SMILESCCCCC(NC(=O)[C@@H]1CC[C@H](CN)O1)c1ccc(OC)cc1
InChIInChI=1S/C18H28N2O3/c1-3-4-5-16(13-6-8-14(22-2)9-7-13)20-18(21)17-11-10-15(12-19)23-17/h6-9,15-17H,3-5,10-12,19H2,1-2H3,(H,20,21)/t15-,16?,17+/m1/s1
InChIKeyPMTWCDIESTWGHA-SKQWJGTPSA-N
XLogP2.55
TPSA73.58 Ų
H-Bond Donors2
H-Bond Acceptors4
Rotatable Bonds8
Heavy Atoms23
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500320.43
LogP ≤ 52.55
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 104

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Related Compounds

(2S,5R)-5-(aminomethyl)-N-[1-(4-methoxyphenyl)propyl]oxolane-2-carboxamide;hydrochloride
CID 120784333
5-(aminomethyl)-N-[(1S)-1-(4-methoxyphenyl)ethyl]oxolane-2-carboxamide
CID 81363772
3-amino-N-[1-(4-methoxyphenyl)pentyl]cyclopentane-1-carboxamide
CID 119774262
N-[1-(4-methoxyphenyl)pentyl]morpholine-2-carboxamide;hydrochloride
CID 119774281
2-amino-N-[1-(4-methoxyphenyl)pentyl]acetamide;hydrochloride
CID 119318115
(2S,5R)-5-(aminomethyl)-N-[1-(4-chlorophenyl)-3-methylbutyl]oxolane-2-carboxamide
CID 120794616
(2S,5R)-5-(aminomethyl)-N-[1-(2,3-dihydro-1,4-benzodioxin-6-yl)propyl]oxolane-2-carboxamide;hydrochloride
CID 120789179
(2S,5R)-5-(aminomethyl)-N-[1-(4-phenoxyphenyl)ethyl]oxolane-2-carboxamide;hydrochloride
CID 120791365
(2S,5R)-5-(aminomethyl)-N-[1-[4-(trifluoromethoxy)phenyl]ethyl]oxolane-2-carboxamide
CID 120786152
(2S,5R)-5-(aminomethyl)-N-(1,2-diphenylethyl)oxolane-2-carboxamide
CID 120784380
(2S,5R)-5-(aminomethyl)-N-(2-methylsulfinyl-1-phenylethyl)oxolane-2-carboxamide;hydrochloride
CID 120795105
(2S,5R)-5-(aminomethyl)-N-[2-(3,4-dimethoxyphenyl)-1-phenylethyl]oxolane-2-carboxamide;hydrochloride
CID 120791253

Frequently Asked Questions

What is the IUPAC name of (2S,5R)-5-(aminomethyl)-N-[1-(4-methoxyphenyl)pentyl]oxolane-2-carboxamide?
The IUPAC name of (2S,5R)-5-(aminomethyl)-N-[1-(4-methoxyphenyl)pentyl]oxolane-2-carboxamide (CID 120792152) is (2S,5R)-5-(aminomethyl)-N-[1-(4-methoxyphenyl)pentyl]oxolane-2-carboxamide.
What is the SMILES notation for (2S,5R)-5-(aminomethyl)-N-[1-(4-methoxyphenyl)pentyl]oxolane-2-carboxamide?
The canonical SMILES for (2S,5R)-5-(aminomethyl)-N-[1-(4-methoxyphenyl)pentyl]oxolane-2-carboxamide is CCCCC(NC(=O)[C@@H]1CC[C@H](CN)O1)c1ccc(OC)cc1.
What is the InChIKey of (2S,5R)-5-(aminomethyl)-N-[1-(4-methoxyphenyl)pentyl]oxolane-2-carboxamide?
The InChIKey is PMTWCDIESTWGHA-SKQWJGTPSA-N. The full InChI is InChI=1S/C18H28N2O3/c1-3-4-5-16(13-6-8-14(22-2)9-7-13)20-18(21)17-11-10-15(12-19)23-17/h6-9,15-17H,3-5,10-12,19H2,1-2H3,(H,20,21)/t15-,16?,17+/m1/s1.
What are the key properties of (2S,5R)-5-(aminomethyl)-N-[1-(4-methoxyphenyl)pentyl]oxolane-2-carboxamide?
(2S,5R)-5-(aminomethyl)-N-[1-(4-methoxyphenyl)pentyl]oxolane-2-carboxamide has a molecular weight of 320.43 g/mol, XLogP of 2.55, 8 rotatable bonds, 2 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for (2S,5R)-5-(aminomethyl)-N-[1-(4-methoxyphenyl)pentyl]oxolane-2-carboxamide is sourced from PubChem (CID 120792152), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).