(2S)-N-methoxy-3-[4-[(4-methoxyphenyl)methoxy]cyclohexyl]-N,2-dimethylpropanamide

C20H31NO4 — CID 122545576

IUPAC(2S)-N-methoxy-3-[4-[(4-methoxyphenyl)methoxy]cyclohexyl]-N,2-dimethylpropanamide
SMILESCOc1ccc(COC2CCC(C[C@H](C)C(=O)N(C)OC)CC2)cc1
InChIInChI=1S/C20H31NO4/c1-15(20(22)21(2)24-4)13-16-5-11-19(12-6-16)25-14-17-7-9-18(23-3)10-8-17/h7-10,15-16,19H,5-6,11-14H2,1-4H3/t15-,16?,19?/m0/s1
InChIKeyYAXAOGJXMDAPTE-LYGPFTKASA-N
MW349.47 g/mol
LogP3.82
Rot. Bonds8

About (2S)-N-methoxy-3-[4-[(4-methoxyphenyl)methoxy]cyclohexyl]-N,2-dimethylpropanamide

(2S)-N-methoxy-3-[4-[(4-methoxyphenyl)methoxy]cyclohexyl]-N,2-dimethylpropanamide (PubChem CID 122545576) has the molecular formula C20H31NO4 and a molecular weight of 349.47 g/mol. Its IUPAC name is (2S)-N-methoxy-3-[4-[(4-methoxyphenyl)methoxy]cyclohexyl]-N,2-dimethylpropanamide.

Molecular Properties

Compound Name(2S)-N-methoxy-3-[4-[(4-methoxyphenyl)methoxy]cyclohexyl]-N,2-dimethylpropanamide
PubChem CID122545576
Molecular FormulaC20H31NO4
Molecular Weight349.47 g/mol
Exact Mass349.23
IUPAC Name(2S)-N-methoxy-3-[4-[(4-methoxyphenyl)methoxy]cyclohexyl]-N,2-dimethylpropanamide
SMILESCOc1ccc(COC2CCC(C[C@H](C)C(=O)N(C)OC)CC2)cc1
InChIInChI=1S/C20H31NO4/c1-15(20(22)21(2)24-4)13-16-5-11-19(12-6-16)25-14-17-7-9-18(23-3)10-8-17/h7-10,15-16,19H,5-6,11-14H2,1-4H3/t15-,16?,19?/m0/s1
InChIKeyYAXAOGJXMDAPTE-LYGPFTKASA-N
XLogP3.82
TPSA48.00 Ų
H-Bond Donors
H-Bond Acceptors4
Rotatable Bonds8
Heavy Atoms25
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500349.47
LogP ≤ 53.82
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 104

Computed Properties (RDKit)

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

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Related Compounds

(2S)-N-methoxy-2-[(4-methoxyphenyl)methoxy]-N-methylpropanamide
CID 11425295
N-methoxy-N-methyl-4-phenylmethoxycyclohexane-1-carboxamide
CID 86642923
(2R,3S,4S)-3-hydroxy-N-methoxy-5-[(4-methoxyphenyl)methoxy]-N,2,4-trimethylpentanamide
CID 11141931
(4-methoxyphenyl)methyl 2-amino-2-cyclopropylacetate
CID 62695261
3-[(4-methoxyphenyl)methoxy]cyclobutane-1-carbaldehyde
CID 118050407
ethyl 3-[(4-methoxyphenyl)methoxy]cyclobutane-1-carboxylate
CID 118050829
N-(2-hydroxypropyl)-2-(4-methoxyphenyl)-N-methylacetamide
CID 62333656
(4-methoxyphenyl)methyl 3-cyclopropylpropanoate
CID 56995818
3-[(4-methoxyphenyl)methoxy]-1-methylazetidine
CID 20517347
propan-2-yl (2S)-2-[(4-methoxyphenyl)methoxy]propanoate
CID 141491206
tert-butyl N-[1-[methoxy(methyl)amino]-3-(4-methoxyphenyl)-1-oxopropan-2-yl]carbamate
CID 21475832
(1S,2R,4S,5S)-6-[(4-methoxyphenyl)methoxy]cyclohexane-1,2,3,4,5-pentol
CID 91096427

Frequently Asked Questions

What is the IUPAC name of (2S)-N-methoxy-3-[4-[(4-methoxyphenyl)methoxy]cyclohexyl]-N,2-dimethylpropanamide?
The IUPAC name of (2S)-N-methoxy-3-[4-[(4-methoxyphenyl)methoxy]cyclohexyl]-N,2-dimethylpropanamide (CID 122545576) is (2S)-N-methoxy-3-[4-[(4-methoxyphenyl)methoxy]cyclohexyl]-N,2-dimethylpropanamide.
What is the SMILES notation for (2S)-N-methoxy-3-[4-[(4-methoxyphenyl)methoxy]cyclohexyl]-N,2-dimethylpropanamide?
The canonical SMILES for (2S)-N-methoxy-3-[4-[(4-methoxyphenyl)methoxy]cyclohexyl]-N,2-dimethylpropanamide is COc1ccc(COC2CCC(C[C@H](C)C(=O)N(C)OC)CC2)cc1.
What is the InChIKey of (2S)-N-methoxy-3-[4-[(4-methoxyphenyl)methoxy]cyclohexyl]-N,2-dimethylpropanamide?
The InChIKey is YAXAOGJXMDAPTE-LYGPFTKASA-N. The full InChI is InChI=1S/C20H31NO4/c1-15(20(22)21(2)24-4)13-16-5-11-19(12-6-16)25-14-17-7-9-18(23-3)10-8-17/h7-10,15-16,19H,5-6,11-14H2,1-4H3/t15-,16?,19?/m0/s1.
What are the key properties of (2S)-N-methoxy-3-[4-[(4-methoxyphenyl)methoxy]cyclohexyl]-N,2-dimethylpropanamide?
(2S)-N-methoxy-3-[4-[(4-methoxyphenyl)methoxy]cyclohexyl]-N,2-dimethylpropanamide has a molecular weight of 349.47 g/mol, XLogP of 3.82, 8 rotatable bonds, 0 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for (2S)-N-methoxy-3-[4-[(4-methoxyphenyl)methoxy]cyclohexyl]-N,2-dimethylpropanamide is sourced from PubChem (CID 122545576), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).