N-(1-adamantyl)-2-phenylcyclopropane-1-carboxamide

C20H25NO — CID 3328396

IUPACN-(1-adamantyl)-2-phenylcyclopropane-1-carboxamide
SMILESO=C(NC12CC3CC(CC(C3)C1)C2)C1CC1c1ccccc1
InChIInChI=1S/C20H25NO/c22-19(18-9-17(18)16-4-2-1-3-5-16)21-20-10-13-6-14(11-20)8-15(7-13)12-20/h1-5,13-15,17-18H,6-12H2,(H,21,22)
InChIKeyMQPGNHOUIMXJOI-UHFFFAOYSA-N
MW295.43 g/mol
LogP3.88
Rot. Bonds3

About N-(1-adamantyl)-2-phenylcyclopropane-1-carboxamide

N-(1-adamantyl)-2-phenylcyclopropane-1-carboxamide (PubChem CID 3328396) has the molecular formula C20H25NO and a molecular weight of 295.43 g/mol. Its IUPAC name is N-(1-adamantyl)-2-phenylcyclopropane-1-carboxamide.

Molecular Properties

Compound NameN-(1-adamantyl)-2-phenylcyclopropane-1-carboxamide
PubChem CID3328396
Molecular FormulaC20H25NO
Molecular Weight295.43 g/mol
Exact Mass295.19
IUPAC NameN-(1-adamantyl)-2-phenylcyclopropane-1-carboxamide
SMILESO=C(NC12CC3CC(CC(C3)C1)C2)C1CC1c1ccccc1
InChIInChI=1S/C20H25NO/c22-19(18-9-17(18)16-4-2-1-3-5-16)21-20-10-13-6-14(11-20)8-15(7-13)12-20/h1-5,13-15,17-18H,6-12H2,(H,21,22)
InChIKeyMQPGNHOUIMXJOI-UHFFFAOYSA-N
XLogP3.88
TPSA29.10 Ų
H-Bond Donors1
H-Bond Acceptors1
Rotatable Bonds3
Heavy Atoms22
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500295.43
LogP ≤ 53.88
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 101

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Related Compounds

1-[(2-phenylcyclopropanecarbonyl)amino]cyclopentane-1-carboxylic acid
CID 78971312
cis-(1R,2S)-2-phenylcyclopropane-1-carboxylic acid
CID 778516
N-[[1-(hydroxymethyl)cyclopropyl]methyl]-2-phenylcyclopropane-1-carboxamide
CID 80710988
N-methoxy-2-phenylcyclopropane-1-carboxamide
CID 72524749
cis-(1R,2S)-2-bromo-1-methyl-N'-[(1R,2R)-2-phenylcyclopropanecarbonyl]cyclopropane-1-carbohydrazide
CID 7353658
trans-(1S,2S)-2-bromo-1-methyl-N'-[(1R,2S)-2-phenylcyclopropanecarbonyl]cyclopropane-1-carbohydrazide
CID 11899310
N-[1-(bromomethyl)-3-methylcyclohexyl]-2-phenylcyclopropane-1-carboxamide
CID 114314615
cis-(1R,2S)-2-phenyl-N-[4-[4-[[(1R,2S)-2-phenylcyclopropanecarbonyl]amino]phenyl]phenyl]cyclopropane-1-carboxamide
CID 93010782
2,2,3-trimethyl-3-[[(1S,2R)-2-phenylcyclopropanecarbonyl]amino]butanoic acid
CID 97234095
trans-(1S,2S)-N-[(1-aminocyclohexyl)methyl]-2-phenylcyclopropane-1-carboxamide
CID 99776033
N-[[1-(2-chloroethyl)cyclopropyl]methyl]-2-phenylcyclopropane-1-carboxamide
CID 114758096
cis-(1S,2R)-N'-(2-chloroacetyl)-2-phenylcyclopropane-1-carbohydrazide
CID 689551

Frequently Asked Questions

What is the IUPAC name of N-(1-adamantyl)-2-phenylcyclopropane-1-carboxamide?
The IUPAC name of N-(1-adamantyl)-2-phenylcyclopropane-1-carboxamide (CID 3328396) is N-(1-adamantyl)-2-phenylcyclopropane-1-carboxamide.
What is the SMILES notation for N-(1-adamantyl)-2-phenylcyclopropane-1-carboxamide?
The canonical SMILES for N-(1-adamantyl)-2-phenylcyclopropane-1-carboxamide is O=C(NC12CC3CC(CC(C3)C1)C2)C1CC1c1ccccc1.
What is the InChIKey of N-(1-adamantyl)-2-phenylcyclopropane-1-carboxamide?
The InChIKey is MQPGNHOUIMXJOI-UHFFFAOYSA-N. The full InChI is InChI=1S/C20H25NO/c22-19(18-9-17(18)16-4-2-1-3-5-16)21-20-10-13-6-14(11-20)8-15(7-13)12-20/h1-5,13-15,17-18H,6-12H2,(H,21,22).
What are the key properties of N-(1-adamantyl)-2-phenylcyclopropane-1-carboxamide?
N-(1-adamantyl)-2-phenylcyclopropane-1-carboxamide has a molecular weight of 295.43 g/mol, XLogP of 3.88, 3 rotatable bonds, 1 hydrogen bond donors, and 1 hydrogen bond acceptors.
Where does this data come from?
All data for N-(1-adamantyl)-2-phenylcyclopropane-1-carboxamide is sourced from PubChem (CID 3328396), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).