(3S)-N-methoxy-N-methyl-3-[(1S,2S)-2-methyl-3-phenylmethoxy-2-prop-2-enylcyclopentyl]butanamide

C22H33NO3 — CID 24813940

IUPAC(3S)-N-methoxy-N-methyl-3-[(1S,2S)-2-methyl-3-phenylmethoxy-2-prop-2-enylcyclopentyl]butanamide
SMILESC=CC[C@]1(C)C(OCc2ccccc2)CC[C@H]1[C@@H](C)CC(=O)N(C)OC
InChIInChI=1S/C22H33NO3/c1-6-14-22(3)19(17(2)15-21(24)23(4)25-5)12-13-20(22)26-16-18-10-8-7-9-11-18/h6-11,17,19-20H,1,12-16H2,2-5H3/t17-,19-,20?,22-/m0/s1
InChIKeyNPQXCTRZAORNAC-MABOMDMHSA-N
MW359.51 g/mol
LogP4.61
Rot. Bonds9

About (3S)-N-methoxy-N-methyl-3-[(1S,2S)-2-methyl-3-phenylmethoxy-2-prop-2-enylcyclopentyl]butanamide

(3S)-N-methoxy-N-methyl-3-[(1S,2S)-2-methyl-3-phenylmethoxy-2-prop-2-enylcyclopentyl]butanamide (PubChem CID 24813940) has the molecular formula C22H33NO3 and a molecular weight of 359.51 g/mol. Its IUPAC name is (3S)-N-methoxy-N-methyl-3-[(1S,2S)-2-methyl-3-phenylmethoxy-2-prop-2-enylcyclopentyl]butanamide.

Molecular Properties

Compound Name(3S)-N-methoxy-N-methyl-3-[(1S,2S)-2-methyl-3-phenylmethoxy-2-prop-2-enylcyclopentyl]butanamide
PubChem CID24813940
Molecular FormulaC22H33NO3
Molecular Weight359.51 g/mol
Exact Mass359.25
IUPAC Name(3S)-N-methoxy-N-methyl-3-[(1S,2S)-2-methyl-3-phenylmethoxy-2-prop-2-enylcyclopentyl]butanamide
SMILESC=CC[C@]1(C)C(OCc2ccccc2)CC[C@H]1[C@@H](C)CC(=O)N(C)OC
InChIInChI=1S/C22H33NO3/c1-6-14-22(3)19(17(2)15-21(24)23(4)25-5)12-13-20(22)26-16-18-10-8-7-9-11-18/h6-11,17,19-20H,1,12-16H2,2-5H3/t17-,19-,20?,22-/m0/s1
InChIKeyNPQXCTRZAORNAC-MABOMDMHSA-N
XLogP4.61
TPSA38.77 Ų
H-Bond Donors
H-Bond Acceptors3
Rotatable Bonds9
Heavy Atoms26
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500359.51
LogP ≤ 54.61
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 103

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'isolated_alkene', 'substructure': 'N/A'}, {'alert_name': 'Oxygen-nitrogen_single_bond', 'substructure': 'N/A'}

Analyze (3S)-N-methoxy-N-methyl-3-[(1S,2S)-2-methyl-3-phenylmethoxy-2-prop-2-enylcyclopentyl]butanamide with MolForge

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Related Compounds

N-methoxy-N-methyl-4-phenylmethoxycyclohexane-1-carboxamide
CID 86642923
N-methoxy-N-methyl-3-phenylbutanamide
CID 22612044
1-tert-butyl-N-methoxy-N-methyl-3-phenylmethoxycyclobutane-1-carboxamide
CID 146463485
N-methoxy-N-methyl-8-phenylmethoxyoctanamide
CID 169498132
(2S)-7,7-dimethyl-6-pent-4-en-2-yl-3-phenylmethoxy-1,4-dioxepan-2-ol
CID 143049599
methyl 2-[6-ethyl-3,5-bis(phenylmethoxy)-2-prop-2-enyloxan-2-yl]propanoate
CID 91042998
N-methoxy-N,2-dimethyl-5-[(2S,3R,6E)-2-methyl-3-phenylmethoxy-6-(2-phenylmethoxyethylidene)oxepan-2-yl]pentanamide
CID 11364222
benzyl N-[2-hydroxy-4-[methoxy(methyl)amino]-4-oxobutyl]carbamate
CID 172915842
benzyl (3R)-4-[methoxy(methyl)amino]-3-methyl-4-oxobutanoate
CID 58120009
1-methyl-2-phenylmethoxycyclobutan-1-ol
CID 154122310
cis-(1S,2S)-1-methyl-2-phenylmethoxycyclobutan-1-ol
CID 167259654
benzyl 8-hydroxy-8-prop-2-enylcyclopentadecane-1-carboxylate
CID 118601136

Frequently Asked Questions

What is the IUPAC name of (3S)-N-methoxy-N-methyl-3-[(1S,2S)-2-methyl-3-phenylmethoxy-2-prop-2-enylcyclopentyl]butanamide?
The IUPAC name of (3S)-N-methoxy-N-methyl-3-[(1S,2S)-2-methyl-3-phenylmethoxy-2-prop-2-enylcyclopentyl]butanamide (CID 24813940) is (3S)-N-methoxy-N-methyl-3-[(1S,2S)-2-methyl-3-phenylmethoxy-2-prop-2-enylcyclopentyl]butanamide.
What is the SMILES notation for (3S)-N-methoxy-N-methyl-3-[(1S,2S)-2-methyl-3-phenylmethoxy-2-prop-2-enylcyclopentyl]butanamide?
The canonical SMILES for (3S)-N-methoxy-N-methyl-3-[(1S,2S)-2-methyl-3-phenylmethoxy-2-prop-2-enylcyclopentyl]butanamide is C=CC[C@]1(C)C(OCc2ccccc2)CC[C@H]1[C@@H](C)CC(=O)N(C)OC.
What is the InChIKey of (3S)-N-methoxy-N-methyl-3-[(1S,2S)-2-methyl-3-phenylmethoxy-2-prop-2-enylcyclopentyl]butanamide?
The InChIKey is NPQXCTRZAORNAC-MABOMDMHSA-N. The full InChI is InChI=1S/C22H33NO3/c1-6-14-22(3)19(17(2)15-21(24)23(4)25-5)12-13-20(22)26-16-18-10-8-7-9-11-18/h6-11,17,19-20H,1,12-16H2,2-5H3/t17-,19-,20?,22-/m0/s1.
What are the key properties of (3S)-N-methoxy-N-methyl-3-[(1S,2S)-2-methyl-3-phenylmethoxy-2-prop-2-enylcyclopentyl]butanamide?
(3S)-N-methoxy-N-methyl-3-[(1S,2S)-2-methyl-3-phenylmethoxy-2-prop-2-enylcyclopentyl]butanamide has a molecular weight of 359.51 g/mol, XLogP of 4.61, 9 rotatable bonds, 0 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for (3S)-N-methoxy-N-methyl-3-[(1S,2S)-2-methyl-3-phenylmethoxy-2-prop-2-enylcyclopentyl]butanamide is sourced from PubChem (CID 24813940), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).