N-(1-adamantylmethyl)-3-(4-methoxyphenyl)propanamide

C21H29NO2 — CID 3892355

IUPACN-(1-adamantylmethyl)-3-(4-methoxyphenyl)propanamide
SMILESCOc1ccc(CCC(=O)NCC23CC4CC(CC(C4)C2)C3)cc1
InChIInChI=1S/C21H29NO2/c1-24-19-5-2-15(3-6-19)4-7-20(23)22-14-21-11-16-8-17(12-21)10-18(9-16)13-21/h2-3,5-6,16-18H,4,7-14H2,1H3,(H,22,23)
InChIKeyHTHWZTPQGLIHBI-UHFFFAOYSA-N
MW327.47 g/mol
LogP3.96
Rot. Bonds6

About N-(1-adamantylmethyl)-3-(4-methoxyphenyl)propanamide

N-(1-adamantylmethyl)-3-(4-methoxyphenyl)propanamide (PubChem CID 3892355) has the molecular formula C21H29NO2 and a molecular weight of 327.47 g/mol. Its IUPAC name is N-(1-adamantylmethyl)-3-(4-methoxyphenyl)propanamide.

Molecular Properties

Compound NameN-(1-adamantylmethyl)-3-(4-methoxyphenyl)propanamide
PubChem CID3892355
Molecular FormulaC21H29NO2
Molecular Weight327.47 g/mol
Exact Mass327.22
IUPAC NameN-(1-adamantylmethyl)-3-(4-methoxyphenyl)propanamide
SMILESCOc1ccc(CCC(=O)NCC23CC4CC(CC(C4)C2)C3)cc1
InChIInChI=1S/C21H29NO2/c1-24-19-5-2-15(3-6-19)4-7-20(23)22-14-21-11-16-8-17(12-21)10-18(9-16)13-21/h2-3,5-6,16-18H,4,7-14H2,1H3,(H,22,23)
InChIKeyHTHWZTPQGLIHBI-UHFFFAOYSA-N
XLogP3.96
TPSA38.33 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds6
Heavy Atoms24
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500327.47
LogP ≤ 53.96
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 102

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Related Compounds

N-benzyl-2-(4-methoxyphenyl)acetamide
CID 795936
Cyclohexanecarboxamide, N-(2-(7-methoxy-1-naphthalenyl)ethyl)-
CID 3071655
N-(2-(4-methoxyphenyl)ethyl)pentanamide
CID 1769471
N-[2-(7-methoxy-3-phenyl-1,2,3,4-tetrahydronaphthalen-1-yl)ethyl]butanamide
CID 22133237
N-[4-[4-[2-adamantylidene-(4-hydroxyphenyl)methyl]phenoxy]butyl]-4-(trifluoromethyl)cyclohexane-1-carboxamide
CID 145965217
N-[4-[4-[2-adamantylidene-(4-hydroxyphenyl)methyl]phenoxy]butyl]cyclohexanecarboxamide
CID 145978643
(1R,2S,4R)-N-[4-[4-[2-adamantylidene-(4-hydroxyphenyl)methyl]phenoxy]butyl]bicyclo[2.2.1]hept-5-ene-2-carboxamide
CID 149822983
N-(2-(1-Cyclohexen-1-yl)ethyl)-4-methoxybenzeneacetamide
CID 703658
N-[1-(3,4-dimethoxyphenyl)ethyl]-1-adamantanecarboxamide
CID 2964280
N-[(adamantan-1-yl)methyl]-2-methoxybenzamide
CID 7750126
2-(4-methoxyphenyl)-N-pentylacetamide
CID 653397
N-(4-methoxyphenethyl)oleamide
CID 44406075

Frequently Asked Questions

What is the IUPAC name of N-(1-adamantylmethyl)-3-(4-methoxyphenyl)propanamide?
The IUPAC name of N-(1-adamantylmethyl)-3-(4-methoxyphenyl)propanamide (CID 3892355) is N-(1-adamantylmethyl)-3-(4-methoxyphenyl)propanamide.
What is the SMILES notation for N-(1-adamantylmethyl)-3-(4-methoxyphenyl)propanamide?
The canonical SMILES for N-(1-adamantylmethyl)-3-(4-methoxyphenyl)propanamide is COc1ccc(CCC(=O)NCC23CC4CC(CC(C4)C2)C3)cc1.
What is the InChIKey of N-(1-adamantylmethyl)-3-(4-methoxyphenyl)propanamide?
The InChIKey is HTHWZTPQGLIHBI-UHFFFAOYSA-N. The full InChI is InChI=1S/C21H29NO2/c1-24-19-5-2-15(3-6-19)4-7-20(23)22-14-21-11-16-8-17(12-21)10-18(9-16)13-21/h2-3,5-6,16-18H,4,7-14H2,1H3,(H,22,23).
What are the key properties of N-(1-adamantylmethyl)-3-(4-methoxyphenyl)propanamide?
N-(1-adamantylmethyl)-3-(4-methoxyphenyl)propanamide has a molecular weight of 327.47 g/mol, XLogP of 3.96, 6 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for N-(1-adamantylmethyl)-3-(4-methoxyphenyl)propanamide is sourced from PubChem (CID 3892355), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).