(1R,2S,4R,5S)-N-(3-hydroxypropyl)-N-[(E)-3-phenylprop-2-enyl]tricyclo[3.2.1.02,4]octane-3-carboxamide

C21H27NO2 — CID 119069267

IUPAC(1R,2S,4R,5S)-N-(3-hydroxypropyl)-N-[(E)-3-phenylprop-2-enyl]tricyclo[3.2.1.02,4]octane-3-carboxamide
SMILESO=C(C1[C@@H]2[C@H]3CC[C@H](C3)[C@H]12)N(C/C=C/c1ccccc1)CCCO
InChIInChI=1S/C21H27NO2/c23-13-5-12-22(11-4-8-15-6-2-1-3-7-15)21(24)20-18-16-9-10-17(14-16)19(18)20/h1-4,6-8,16-20,23H,5,9-14H2/b8-4+/t16-,17+,18+,19-,20?
InChIKeyKFWPHJULRGWSSC-ORQGRWSDSA-N
MW325.45 g/mol
LogP3.20
Rot. Bonds7

About (1R,2S,4R,5S)-N-(3-hydroxypropyl)-N-[(E)-3-phenylprop-2-enyl]tricyclo[3.2.1.02,4]octane-3-carboxamide

(1R,2S,4R,5S)-N-(3-hydroxypropyl)-N-[(E)-3-phenylprop-2-enyl]tricyclo[3.2.1.02,4]octane-3-carboxamide (PubChem CID 119069267) has the molecular formula C21H27NO2 and a molecular weight of 325.45 g/mol. Its IUPAC name is (1R,2S,4R,5S)-N-(3-hydroxypropyl)-N-[(E)-3-phenylprop-2-enyl]tricyclo[3.2.1.02,4]octane-3-carboxamide.

Molecular Properties

Compound Name(1R,2S,4R,5S)-N-(3-hydroxypropyl)-N-[(E)-3-phenylprop-2-enyl]tricyclo[3.2.1.02,4]octane-3-carboxamide
PubChem CID119069267
Molecular FormulaC21H27NO2
Molecular Weight325.45 g/mol
Exact Mass325.20
IUPAC Name(1R,2S,4R,5S)-N-(3-hydroxypropyl)-N-[(E)-3-phenylprop-2-enyl]tricyclo[3.2.1.02,4]octane-3-carboxamide
SMILESO=C(C1[C@@H]2[C@H]3CC[C@H](C3)[C@H]12)N(C/C=C/c1ccccc1)CCCO
InChIInChI=1S/C21H27NO2/c23-13-5-12-22(11-4-8-15-6-2-1-3-7-15)21(24)20-18-16-9-10-17(14-16)19(18)20/h1-4,6-8,16-20,23H,5,9-14H2/b8-4+/t16-,17+,18+,19-,20?
InChIKeyKFWPHJULRGWSSC-ORQGRWSDSA-N
XLogP3.20
TPSA40.54 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds7
Heavy Atoms24
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500325.45
LogP ≤ 53.20
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 102

Analyze (1R,2S,4R,5S)-N-(3-hydroxypropyl)-N-[(E)-3-phenylprop-2-enyl]tricyclo[3.2.1.02,4]octane-3-carboxamide with MolForge

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Related Compounds

cis-(1R,3S)-3-amino-N-(3-hydroxypropyl)-N-[(E)-3-phenylprop-2-enyl]cyclopentane-1-carboxamide
CID 133119161
N-ethyl-N-(3-phenylprop-2-enyl)cyclopropanecarboxamide
CID 76600124
N,N-bis(3-hydroxypropyl)-3-phenylprop-2-enamide
CID 176654258
N-(2-hydroxyethyl)-5-(2-hydroxyphenyl)-N-[(E)-3-phenylprop-2-enyl]pyrazolidine-3-carboxamide
CID 134079829
N-(2-hydroxyethyl)-5-(4-methylphenyl)-N-[(E)-3-phenylprop-2-enyl]pyrazolidine-3-carboxamide
CID 133108315
3-[cyclopropyl-[(E)-3-phenylprop-2-enyl]amino]propanoic acid
CID 60839035
N,N-bis[(E)-3-phenylprop-2-enyl]benzamide
CID 139601549
1-(3-hydroxypropyl)-3-[(5-methyl-1,3,4-oxadiazol-2-yl)methyl]-1-[(E)-3-phenylprop-2-enyl]urea
CID 119068325
N-cyclobutyl-N-(2-hydroxyethyl)tricyclo[3.2.1.02,4]octane-3-carboxamide
CID 102685011
N-(2-methoxyethyl)-N-(3-phenylprop-2-enyl)spiro[2.2]pentane-2-carboxamide
CID 171134718
N-ethyl-N-[(E)-3-phenylprop-2-enyl]oxolane-3-carboxamide
CID 50962275
1-(furan-2-ylmethyl)-N-(2-hydroxyethyl)-N-[(E)-3-phenylprop-2-enyl]piperidine-3-carboxamide
CID 131895344

Frequently Asked Questions

What is the IUPAC name of (1R,2S,4R,5S)-N-(3-hydroxypropyl)-N-[(E)-3-phenylprop-2-enyl]tricyclo[3.2.1.02,4]octane-3-carboxamide?
The IUPAC name of (1R,2S,4R,5S)-N-(3-hydroxypropyl)-N-[(E)-3-phenylprop-2-enyl]tricyclo[3.2.1.02,4]octane-3-carboxamide (CID 119069267) is (1R,2S,4R,5S)-N-(3-hydroxypropyl)-N-[(E)-3-phenylprop-2-enyl]tricyclo[3.2.1.02,4]octane-3-carboxamide.
What is the SMILES notation for (1R,2S,4R,5S)-N-(3-hydroxypropyl)-N-[(E)-3-phenylprop-2-enyl]tricyclo[3.2.1.02,4]octane-3-carboxamide?
The canonical SMILES for (1R,2S,4R,5S)-N-(3-hydroxypropyl)-N-[(E)-3-phenylprop-2-enyl]tricyclo[3.2.1.02,4]octane-3-carboxamide is O=C(C1[C@@H]2[C@H]3CC[C@H](C3)[C@H]12)N(C/C=C/c1ccccc1)CCCO.
What is the InChIKey of (1R,2S,4R,5S)-N-(3-hydroxypropyl)-N-[(E)-3-phenylprop-2-enyl]tricyclo[3.2.1.02,4]octane-3-carboxamide?
The InChIKey is KFWPHJULRGWSSC-ORQGRWSDSA-N. The full InChI is InChI=1S/C21H27NO2/c23-13-5-12-22(11-4-8-15-6-2-1-3-7-15)21(24)20-18-16-9-10-17(14-16)19(18)20/h1-4,6-8,16-20,23H,5,9-14H2/b8-4+/t16-,17+,18+,19-,20?.
What are the key properties of (1R,2S,4R,5S)-N-(3-hydroxypropyl)-N-[(E)-3-phenylprop-2-enyl]tricyclo[3.2.1.02,4]octane-3-carboxamide?
(1R,2S,4R,5S)-N-(3-hydroxypropyl)-N-[(E)-3-phenylprop-2-enyl]tricyclo[3.2.1.02,4]octane-3-carboxamide has a molecular weight of 325.45 g/mol, XLogP of 3.20, 7 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for (1R,2S,4R,5S)-N-(3-hydroxypropyl)-N-[(E)-3-phenylprop-2-enyl]tricyclo[3.2.1.02,4]octane-3-carboxamide is sourced from PubChem (CID 119069267), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).