(3R)-N-(cyclopropylmethyl)-N-phenyloxane-3-carboxamide

C16H21NO2 — CID 97082635

IUPAC(3R)-N-(cyclopropylmethyl)-N-phenyloxane-3-carboxamide
SMILESO=C([C@@H]1CCCOC1)N(CC1CC1)c1ccccc1
InChIInChI=1S/C16H21NO2/c18-16(14-5-4-10-19-12-14)17(11-13-8-9-13)15-6-2-1-3-7-15/h1-3,6-7,13-14H,4-5,8-12H2/t14-/m1/s1
InChIKeyCVUWUTDNJKZBNB-CQSZACIVSA-N
MW259.35 g/mol
LogP2.86
Rot. Bonds4

About (3R)-N-(cyclopropylmethyl)-N-phenyloxane-3-carboxamide

(3R)-N-(cyclopropylmethyl)-N-phenyloxane-3-carboxamide (PubChem CID 97082635) has the molecular formula C16H21NO2 and a molecular weight of 259.35 g/mol. Its IUPAC name is (3R)-N-(cyclopropylmethyl)-N-phenyloxane-3-carboxamide.

Molecular Properties

Compound Name(3R)-N-(cyclopropylmethyl)-N-phenyloxane-3-carboxamide
PubChem CID97082635
Molecular FormulaC16H21NO2
Molecular Weight259.35 g/mol
Exact Mass259.16
IUPAC Name(3R)-N-(cyclopropylmethyl)-N-phenyloxane-3-carboxamide
SMILESO=C([C@@H]1CCCOC1)N(CC1CC1)c1ccccc1
InChIInChI=1S/C16H21NO2/c18-16(14-5-4-10-19-12-14)17(11-13-8-9-13)15-6-2-1-3-7-15/h1-3,6-7,13-14H,4-5,8-12H2/t14-/m1/s1
InChIKeyCVUWUTDNJKZBNB-CQSZACIVSA-N
XLogP2.86
TPSA29.54 Ų
H-Bond Donors
H-Bond Acceptors2
Rotatable Bonds4
Heavy Atoms19
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500259.35
LogP ≤ 52.86
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 102

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Related Compounds

N-ethyl-N-phenyloxane-3-carboxamide
CID 110857893
(3S)-N-phenyl-N-(2,2,2-trifluoroethyl)oxolane-3-carboxamide
CID 95629587
(3S)-N-(2-oxo-2-piperidin-1-ylethyl)-N-phenyloxolane-3-carboxamide
CID 95620326
3-amino-N-(cyclobutylmethyl)-N-phenylcyclopentane-1-carboxamide
CID 119807478
N-(furan-2-ylmethyl)-N-phenyloxolane-3-carboxamide
CID 5047915
oxan-3-yl(phenyl)methanone
CID 63011351
(3S)-N-phenyl-N-(thiophen-3-ylmethyl)oxolane-3-carboxamide
CID 124592122
N-(3-aminopropyl)-N-(4-fluorophenyl)oxane-3-carboxamide
CID 63011144
(3R)-N-phenyl-N-(thiophen-3-ylmethyl)oxolane-3-carboxamide
CID 124592121
N-benzyl-N-propan-2-yloxane-3-carboxamide
CID 110855554
N-[(5-methyl-1H-imidazol-4-yl)methyl]-N-phenyloxolane-3-carboxamide
CID 4603731
N-ethyl-N-phenylcyclobutanecarboxamide
CID 39946342

Frequently Asked Questions

What is the IUPAC name of (3R)-N-(cyclopropylmethyl)-N-phenyloxane-3-carboxamide?
The IUPAC name of (3R)-N-(cyclopropylmethyl)-N-phenyloxane-3-carboxamide (CID 97082635) is (3R)-N-(cyclopropylmethyl)-N-phenyloxane-3-carboxamide.
What is the SMILES notation for (3R)-N-(cyclopropylmethyl)-N-phenyloxane-3-carboxamide?
The canonical SMILES for (3R)-N-(cyclopropylmethyl)-N-phenyloxane-3-carboxamide is O=C([C@@H]1CCCOC1)N(CC1CC1)c1ccccc1.
What is the InChIKey of (3R)-N-(cyclopropylmethyl)-N-phenyloxane-3-carboxamide?
The InChIKey is CVUWUTDNJKZBNB-CQSZACIVSA-N. The full InChI is InChI=1S/C16H21NO2/c18-16(14-5-4-10-19-12-14)17(11-13-8-9-13)15-6-2-1-3-7-15/h1-3,6-7,13-14H,4-5,8-12H2/t14-/m1/s1.
What are the key properties of (3R)-N-(cyclopropylmethyl)-N-phenyloxane-3-carboxamide?
(3R)-N-(cyclopropylmethyl)-N-phenyloxane-3-carboxamide has a molecular weight of 259.35 g/mol, XLogP of 2.86, 4 rotatable bonds, 0 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for (3R)-N-(cyclopropylmethyl)-N-phenyloxane-3-carboxamide is sourced from PubChem (CID 97082635), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).