3-(hydroxymethyl)-6-methoxy-N,N-di(propan-2-yl)phenanthrene-4-carboxamide

C23H27NO3 — CID 132527029

IUPAC3-(hydroxymethyl)-6-methoxy-N,N-di(propan-2-yl)phenanthrene-4-carboxamide
SMILESCOc1ccc2ccc3ccc(CO)c(C(=O)N(C(C)C)C(C)C)c3c2c1
InChIInChI=1S/C23H27NO3/c1-14(2)24(15(3)4)23(26)22-18(13-25)9-8-17-7-6-16-10-11-19(27-5)12-20(16)21(17)22/h6-12,14-15,25H,13H2,1-5H3
InChIKeySGFCRPBMUGBJOY-UHFFFAOYSA-N
MW365.47 g/mol
LogP4.75
Rot. Bonds5

About 3-(hydroxymethyl)-6-methoxy-N,N-di(propan-2-yl)phenanthrene-4-carboxamide

3-(hydroxymethyl)-6-methoxy-N,N-di(propan-2-yl)phenanthrene-4-carboxamide (PubChem CID 132527029) has the molecular formula C23H27NO3 and a molecular weight of 365.47 g/mol. Its IUPAC name is 3-(hydroxymethyl)-6-methoxy-N,N-di(propan-2-yl)phenanthrene-4-carboxamide.

Molecular Properties

Compound Name3-(hydroxymethyl)-6-methoxy-N,N-di(propan-2-yl)phenanthrene-4-carboxamide
PubChem CID132527029
Molecular FormulaC23H27NO3
Molecular Weight365.47 g/mol
Exact Mass365.20
IUPAC Name3-(hydroxymethyl)-6-methoxy-N,N-di(propan-2-yl)phenanthrene-4-carboxamide
SMILESCOc1ccc2ccc3ccc(CO)c(C(=O)N(C(C)C)C(C)C)c3c2c1
InChIInChI=1S/C23H27NO3/c1-14(2)24(15(3)4)23(26)22-18(13-25)9-8-17-7-6-16-10-11-19(27-5)12-20(16)21(17)22/h6-12,14-15,25H,13H2,1-5H3
InChIKeySGFCRPBMUGBJOY-UHFFFAOYSA-N
XLogP4.75
TPSA49.77 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds5
Heavy Atoms27
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500365.47
LogP ≤ 54.75
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'Polycyclic_aromatic_hydrocarbon_3', 'substructure': 'N/A'}

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Related Compounds

2,4-dimethoxy-N,N-di(propan-2-yl)benzamide
CID 801007
5-methoxy-N,N-di(propan-2-yl)-1H-indole-3-carboxamide
CID 91757486
6,25-dimethoxyheptacyclo[16.12.0.02,15.03,12.04,9.021,30.024,29]triaconta-1(18),2(15),3(12),4(9),5,7,10,13,16,19,21(30),22,24(29),25,27-pentadecaene
CID 122386604
[(2S)-2-(6-methoxynaphthalen-2-yl)propyl] 2-methylpropanoate
CID 141195522
(4-methoxy-2-propan-2-yloxyphenyl)methanol
CID 61267391
6-methoxy-N-phenyl-N-propan-2-ylnaphthalene-2-carboxamide;hydrate
CID 110169848
2-(hydroxymethyl)-4-methoxybenzenesulfonamide
CID 67168933
(2,3,7-trimethoxyphenanthren-9-yl)methanol
CID 71486073
[4-methoxy-2-(2-propan-2-yloxyethoxy)phenyl]methanol
CID 54957551
3-amino-N-(2-hydroxyethyl)-6-methoxy-N-propan-2-yl-1-benzothiophene-2-carboxamide
CID 81301398
N-[2-[3-(hydroxymethyl)-7-methoxynaphthalen-1-yl]ethyl]acetamide
CID 25167837
2-[2-(hydroxymethyl)-5-methoxyphenoxy]-N-(3-methylbutyl)propanamide
CID 61267766

Frequently Asked Questions

What is the IUPAC name of 3-(hydroxymethyl)-6-methoxy-N,N-di(propan-2-yl)phenanthrene-4-carboxamide?
The IUPAC name of 3-(hydroxymethyl)-6-methoxy-N,N-di(propan-2-yl)phenanthrene-4-carboxamide (CID 132527029) is 3-(hydroxymethyl)-6-methoxy-N,N-di(propan-2-yl)phenanthrene-4-carboxamide.
What is the SMILES notation for 3-(hydroxymethyl)-6-methoxy-N,N-di(propan-2-yl)phenanthrene-4-carboxamide?
The canonical SMILES for 3-(hydroxymethyl)-6-methoxy-N,N-di(propan-2-yl)phenanthrene-4-carboxamide is COc1ccc2ccc3ccc(CO)c(C(=O)N(C(C)C)C(C)C)c3c2c1.
What is the InChIKey of 3-(hydroxymethyl)-6-methoxy-N,N-di(propan-2-yl)phenanthrene-4-carboxamide?
The InChIKey is SGFCRPBMUGBJOY-UHFFFAOYSA-N. The full InChI is InChI=1S/C23H27NO3/c1-14(2)24(15(3)4)23(26)22-18(13-25)9-8-17-7-6-16-10-11-19(27-5)12-20(16)21(17)22/h6-12,14-15,25H,13H2,1-5H3.
What are the key properties of 3-(hydroxymethyl)-6-methoxy-N,N-di(propan-2-yl)phenanthrene-4-carboxamide?
3-(hydroxymethyl)-6-methoxy-N,N-di(propan-2-yl)phenanthrene-4-carboxamide has a molecular weight of 365.47 g/mol, XLogP of 4.75, 5 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 3-(hydroxymethyl)-6-methoxy-N,N-di(propan-2-yl)phenanthrene-4-carboxamide is sourced from PubChem (CID 132527029), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).