(2R)-N-[[4-(pyrrolidine-1-carbonyl)phenyl]methyl]oxane-2-carboxamide

C18H24N2O3 — CID 125158287

IUPAC(2R)-N-[[4-(pyrrolidine-1-carbonyl)phenyl]methyl]oxane-2-carboxamide
SMILESO=C(NCc1ccc(C(=O)N2CCCC2)cc1)[C@H]1CCCCO1
InChIInChI=1S/C18H24N2O3/c21-17(16-5-1-4-12-23-16)19-13-14-6-8-15(9-7-14)18(22)20-10-2-3-11-20/h6-9,16H,1-5,10-13H2,(H,19,21)/t16-/m1/s1
InChIKeyTWXGWRASZCQRQT-MRXNPFEDSA-N
MW316.40 g/mol
LogP2.11
Rot. Bonds4

About (2R)-N-[[4-(pyrrolidine-1-carbonyl)phenyl]methyl]oxane-2-carboxamide

(2R)-N-[[4-(pyrrolidine-1-carbonyl)phenyl]methyl]oxane-2-carboxamide (PubChem CID 125158287) has the molecular formula C18H24N2O3 and a molecular weight of 316.40 g/mol. Its IUPAC name is (2R)-N-[[4-(pyrrolidine-1-carbonyl)phenyl]methyl]oxane-2-carboxamide.

Molecular Properties

Compound Name(2R)-N-[[4-(pyrrolidine-1-carbonyl)phenyl]methyl]oxane-2-carboxamide
PubChem CID125158287
Molecular FormulaC18H24N2O3
Molecular Weight316.40 g/mol
Exact Mass316.18
IUPAC Name(2R)-N-[[4-(pyrrolidine-1-carbonyl)phenyl]methyl]oxane-2-carboxamide
SMILESO=C(NCc1ccc(C(=O)N2CCCC2)cc1)[C@H]1CCCCO1
InChIInChI=1S/C18H24N2O3/c21-17(16-5-1-4-12-23-16)19-13-14-6-8-15(9-7-14)18(22)20-10-2-3-11-20/h6-9,16H,1-5,10-13H2,(H,19,21)/t16-/m1/s1
InChIKeyTWXGWRASZCQRQT-MRXNPFEDSA-N
XLogP2.11
TPSA58.64 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds4
Heavy Atoms23
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500316.40
LogP ≤ 52.11
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

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Related Compounds

N-[[4-(piperidine-1-carbonyl)phenyl]methyl]cyclopentanecarboxamide
CID 18119554
N'-methyl-4-(oxolane-2-carbonyl)-N-[[4-(piperidine-1-carbonyl)phenyl]methyl]piperazine-1-carboximidamide
CID 111300441
N-[[3-[(oxane-2-carbonylamino)methyl]phenyl]methyl]oxane-2-carboxamide
CID 127697163
N-[(4-ethylphenyl)methyl]oxolane-2-carboxamide
CID 110779522
N-[(4-morpholin-4-ylphenyl)methyl]oxolane-2-carboxamide
CID 110405121
N-[[4-(methylcarbamoyl)phenyl]methyl]oxolane-2-carboxamide
CID 47160865
N-[[4-(4-aminopiperidine-1-carbonyl)phenyl]methyl]cyclopentanecarboxamide;hydrochloride
CID 119375294
N-[[4-(piperazine-1-carbonyl)phenyl]methyl]cyclohexanecarboxamide
CID 39162933
(5S)-3-ethyl-N-[[4-(pyrrolidine-1-carbonyl)phenyl]methyl]-4,5-dihydro-1,2-oxazole-5-carboxamide
CID 125168066
2-cyclopentyl-N-[[4-(piperidine-1-carbonyl)phenyl]methyl]acetamide
CID 18159694
N-[[4-[(4-methylpiperidin-1-yl)methyl]phenyl]methyl]oxolane-2-carboxamide
CID 42891527
[4-(piperidine-1-carbonyl)phenyl]methylurea
CID 51073375

Frequently Asked Questions

What is the IUPAC name of (2R)-N-[[4-(pyrrolidine-1-carbonyl)phenyl]methyl]oxane-2-carboxamide?
The IUPAC name of (2R)-N-[[4-(pyrrolidine-1-carbonyl)phenyl]methyl]oxane-2-carboxamide (CID 125158287) is (2R)-N-[[4-(pyrrolidine-1-carbonyl)phenyl]methyl]oxane-2-carboxamide.
What is the SMILES notation for (2R)-N-[[4-(pyrrolidine-1-carbonyl)phenyl]methyl]oxane-2-carboxamide?
The canonical SMILES for (2R)-N-[[4-(pyrrolidine-1-carbonyl)phenyl]methyl]oxane-2-carboxamide is O=C(NCc1ccc(C(=O)N2CCCC2)cc1)[C@H]1CCCCO1.
What is the InChIKey of (2R)-N-[[4-(pyrrolidine-1-carbonyl)phenyl]methyl]oxane-2-carboxamide?
The InChIKey is TWXGWRASZCQRQT-MRXNPFEDSA-N. The full InChI is InChI=1S/C18H24N2O3/c21-17(16-5-1-4-12-23-16)19-13-14-6-8-15(9-7-14)18(22)20-10-2-3-11-20/h6-9,16H,1-5,10-13H2,(H,19,21)/t16-/m1/s1.
What are the key properties of (2R)-N-[[4-(pyrrolidine-1-carbonyl)phenyl]methyl]oxane-2-carboxamide?
(2R)-N-[[4-(pyrrolidine-1-carbonyl)phenyl]methyl]oxane-2-carboxamide has a molecular weight of 316.40 g/mol, XLogP of 2.11, 4 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for (2R)-N-[[4-(pyrrolidine-1-carbonyl)phenyl]methyl]oxane-2-carboxamide is sourced from PubChem (CID 125158287), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).