(1S,5R)-N-[[4-(2-pyrrolidin-1-ylethoxy)phenyl]methyl]bicyclo[3.1.0]hexane-6-carboxamide

C20H28N2O2 — CID 97220943

IUPAC(1S,5R)-N-[[4-(2-pyrrolidin-1-ylethoxy)phenyl]methyl]bicyclo[3.1.0]hexane-6-carboxamide
SMILESO=C(NCc1ccc(OCCN2CCCC2)cc1)C1[C@H]2CCC[C@@H]12
InChIInChI=1S/C20H28N2O2/c23-20(19-17-4-3-5-18(17)19)21-14-15-6-8-16(9-7-15)24-13-12-22-10-1-2-11-22/h6-9,17-19H,1-5,10-14H2,(H,21,23)/t17-,18+,19?
InChIKeyMHWBMHSPRZHPSB-DFNIBXOVSA-N
MW328.46 g/mol
LogP2.82
Rot. Bonds7

About (1S,5R)-N-[[4-(2-pyrrolidin-1-ylethoxy)phenyl]methyl]bicyclo[3.1.0]hexane-6-carboxamide

(1S,5R)-N-[[4-(2-pyrrolidin-1-ylethoxy)phenyl]methyl]bicyclo[3.1.0]hexane-6-carboxamide (PubChem CID 97220943) has the molecular formula C20H28N2O2 and a molecular weight of 328.46 g/mol. Its IUPAC name is (1S,5R)-N-[[4-(2-pyrrolidin-1-ylethoxy)phenyl]methyl]bicyclo[3.1.0]hexane-6-carboxamide.

Molecular Properties

Compound Name(1S,5R)-N-[[4-(2-pyrrolidin-1-ylethoxy)phenyl]methyl]bicyclo[3.1.0]hexane-6-carboxamide
PubChem CID97220943
Molecular FormulaC20H28N2O2
Molecular Weight328.46 g/mol
Exact Mass328.22
IUPAC Name(1S,5R)-N-[[4-(2-pyrrolidin-1-ylethoxy)phenyl]methyl]bicyclo[3.1.0]hexane-6-carboxamide
SMILESO=C(NCc1ccc(OCCN2CCCC2)cc1)C1[C@H]2CCC[C@@H]12
InChIInChI=1S/C20H28N2O2/c23-20(19-17-4-3-5-18(17)19)21-14-15-6-8-16(9-7-15)24-13-12-22-10-1-2-11-22/h6-9,17-19H,1-5,10-14H2,(H,21,23)/t17-,18+,19?
InChIKeyMHWBMHSPRZHPSB-DFNIBXOVSA-N
XLogP2.82
TPSA41.57 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds7
Heavy Atoms24
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500328.46
LogP ≤ 52.82
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

Analyze (1S,5R)-N-[[4-(2-pyrrolidin-1-ylethoxy)phenyl]methyl]bicyclo[3.1.0]hexane-6-carboxamide with MolForge

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Related Compounds

N-[(4-fluorophenyl)methyl]-1-[2-(4-methylphenoxy)ethyl]piperidine-4-carboxamide
CID 55838287
N-[(4-hydroxyphenyl)methyl]-4-(2-pyrrolidin-1-ylethoxy)benzamide;hydrochloride
CID 22137378
4-methyl-N-[[4-(2-piperidin-1-ylethoxy)phenyl]methyl]benzamide
CID 15137005
4-[[[4-(2-piperidin-1-ylethoxy)phenyl]carbamoylamino]methyl]benzoic acid
CID 122087184
2-[4-[2-(4-chlorophenoxy)ethyl]piperazin-1-yl]-N-[(4-chlorophenyl)methyl]acetamide
CID 9260123
N-[(4-hydroxyphenyl)methyl]bicyclo[4.1.0]heptane-7-carboxamide
CID 115681918
[4-(2-pyrrolidin-1-ylethoxy)phenyl]methanol
CID 10751471
3,4-dimethoxy-N-[[4-(2-piperidin-1-ylethoxy)phenyl]methyl]benzamide
CID 3078820
1-[4-[2-(azepan-1-yl)ethoxy]phenyl]propan-2-one
CID 70526687
2-[[3-(2-piperidin-1-ylethoxy)phenyl]methylcarbamoyl]cyclohexane-1-carboxylic acid
CID 22685902
[4-[2-(azepan-1-yl)ethoxy]phenyl]methanol;hydrochloride
CID 78358370
1-[[[4-(2-pyrrolidin-1-ylethoxy)phenyl]methylamino]methyl]cyclobutan-1-ol
CID 111114650

Frequently Asked Questions

What is the IUPAC name of (1S,5R)-N-[[4-(2-pyrrolidin-1-ylethoxy)phenyl]methyl]bicyclo[3.1.0]hexane-6-carboxamide?
The IUPAC name of (1S,5R)-N-[[4-(2-pyrrolidin-1-ylethoxy)phenyl]methyl]bicyclo[3.1.0]hexane-6-carboxamide (CID 97220943) is (1S,5R)-N-[[4-(2-pyrrolidin-1-ylethoxy)phenyl]methyl]bicyclo[3.1.0]hexane-6-carboxamide.
What is the SMILES notation for (1S,5R)-N-[[4-(2-pyrrolidin-1-ylethoxy)phenyl]methyl]bicyclo[3.1.0]hexane-6-carboxamide?
The canonical SMILES for (1S,5R)-N-[[4-(2-pyrrolidin-1-ylethoxy)phenyl]methyl]bicyclo[3.1.0]hexane-6-carboxamide is O=C(NCc1ccc(OCCN2CCCC2)cc1)C1[C@H]2CCC[C@@H]12.
What is the InChIKey of (1S,5R)-N-[[4-(2-pyrrolidin-1-ylethoxy)phenyl]methyl]bicyclo[3.1.0]hexane-6-carboxamide?
The InChIKey is MHWBMHSPRZHPSB-DFNIBXOVSA-N. The full InChI is InChI=1S/C20H28N2O2/c23-20(19-17-4-3-5-18(17)19)21-14-15-6-8-16(9-7-15)24-13-12-22-10-1-2-11-22/h6-9,17-19H,1-5,10-14H2,(H,21,23)/t17-,18+,19?.
What are the key properties of (1S,5R)-N-[[4-(2-pyrrolidin-1-ylethoxy)phenyl]methyl]bicyclo[3.1.0]hexane-6-carboxamide?
(1S,5R)-N-[[4-(2-pyrrolidin-1-ylethoxy)phenyl]methyl]bicyclo[3.1.0]hexane-6-carboxamide has a molecular weight of 328.46 g/mol, XLogP of 2.82, 7 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for (1S,5R)-N-[[4-(2-pyrrolidin-1-ylethoxy)phenyl]methyl]bicyclo[3.1.0]hexane-6-carboxamide is sourced from PubChem (CID 97220943), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).