N-(3-propan-2-yl-1-adamantyl)prop-2-enamide

C16H25NO — CID 15313643

IUPACN-(3-propan-2-yl-1-adamantyl)prop-2-enamide
SMILESC=CC(=O)NC12CC3CC(C1)CC(C(C)C)(C3)C2
InChIInChI=1S/C16H25NO/c1-4-14(18)17-16-8-12-5-13(9-16)7-15(6-12,10-16)11(2)3/h4,11-13H,1,5-10H2,2-3H3,(H,17,18)
InChIKeyOVQKIKWBDOALPP-UHFFFAOYSA-N
MW247.38 g/mol
LogP3.28
Rot. Bonds3

About N-(3-propan-2-yl-1-adamantyl)prop-2-enamide

N-(3-propan-2-yl-1-adamantyl)prop-2-enamide (PubChem CID 15313643) has the molecular formula C16H25NO and a molecular weight of 247.38 g/mol. Its IUPAC name is N-(3-propan-2-yl-1-adamantyl)prop-2-enamide.

Molecular Properties

Compound NameN-(3-propan-2-yl-1-adamantyl)prop-2-enamide
PubChem CID15313643
Molecular FormulaC16H25NO
Molecular Weight247.38 g/mol
Exact Mass247.19
IUPAC NameN-(3-propan-2-yl-1-adamantyl)prop-2-enamide
SMILESC=CC(=O)NC12CC3CC(C1)CC(C(C)C)(C3)C2
InChIInChI=1S/C16H25NO/c1-4-14(18)17-16-8-12-5-13(9-16)7-15(6-12,10-16)11(2)3/h4,11-13H,1,5-10H2,2-3H3,(H,17,18)
InChIKeyOVQKIKWBDOALPP-UHFFFAOYSA-N
XLogP3.28
TPSA29.10 Ų
H-Bond Donors1
H-Bond Acceptors1
Rotatable Bonds3
Heavy Atoms18
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500247.38
LogP ≤ 53.28
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 101

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'Michael_acceptor_1', 'substructure': 'N/A'}

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Related Compounds

2-chloro-N-(3-propan-2-yl-1-adamantyl)acetamide
CID 15313641
N-(3-acetamido-1-adamantyl)acetamide
CID 2817797
1-(3-propan-2-yl-1-adamantyl)propan-1-one
CID 12659808
(2R)-2-methoxy-N-[4-(prop-2-enoylamino)-1-bicyclo[2.2.1]heptanyl]propanamide
CID 167787279
N-(1-adamantyl)but-2-enamide
CID 78906637
1-chloro-3-propan-2-yladamantane;ethane
CID 163421453
2-[3-(1-carboxyethyl)-1-adamantyl]propanoic acid
CID 170199454
(5S,7R)-1-tert-butyl-3-propan-2-yladamantane
CID 11806605
N-(3-hydroxy-1-adamantyl)acetamide
CID 2842792
N-[(5S,7S)-3-hydroxy-1-adamantyl]acetamide
CID 98051722
1-propan-2-yladamantane;1-propan-2-ylbicyclo[1.1.1]pentane
CID 159977923
N-[2-[methyl-(2-propan-2-yl-2-adamantyl)amino]-2-oxoethyl]prop-2-enamide
CID 58186232

Frequently Asked Questions

What is the IUPAC name of N-(3-propan-2-yl-1-adamantyl)prop-2-enamide?
The IUPAC name of N-(3-propan-2-yl-1-adamantyl)prop-2-enamide (CID 15313643) is N-(3-propan-2-yl-1-adamantyl)prop-2-enamide.
What is the SMILES notation for N-(3-propan-2-yl-1-adamantyl)prop-2-enamide?
The canonical SMILES for N-(3-propan-2-yl-1-adamantyl)prop-2-enamide is C=CC(=O)NC12CC3CC(C1)CC(C(C)C)(C3)C2.
What is the InChIKey of N-(3-propan-2-yl-1-adamantyl)prop-2-enamide?
The InChIKey is OVQKIKWBDOALPP-UHFFFAOYSA-N. The full InChI is InChI=1S/C16H25NO/c1-4-14(18)17-16-8-12-5-13(9-16)7-15(6-12,10-16)11(2)3/h4,11-13H,1,5-10H2,2-3H3,(H,17,18).
What are the key properties of N-(3-propan-2-yl-1-adamantyl)prop-2-enamide?
N-(3-propan-2-yl-1-adamantyl)prop-2-enamide has a molecular weight of 247.38 g/mol, XLogP of 3.28, 3 rotatable bonds, 1 hydrogen bond donors, and 1 hydrogen bond acceptors.
Where does this data come from?
All data for N-(3-propan-2-yl-1-adamantyl)prop-2-enamide is sourced from PubChem (CID 15313643), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).