N-propyladamantane-1-carboxamide

C14H23NO — CID 2903179

IUPACN-propyladamantane-1-carboxamide
SMILESCCCNC(=O)C12CC3CC(CC(C3)C1)C2
InChIInChI=1S/C14H23NO/c1-2-3-15-13(16)14-7-10-4-11(8-14)6-12(5-10)9-14/h10-12H,2-9H2,1H3,(H,15,16)
InChIKeyBWUDAHKOSMMQGI-UHFFFAOYSA-N
MW221.34 g/mol
LogP2.73
Rot. Bonds3

About N-propyladamantane-1-carboxamide

N-propyladamantane-1-carboxamide (PubChem CID 2903179) has the molecular formula C14H23NO and a molecular weight of 221.34 g/mol. Its IUPAC name is N-propyladamantane-1-carboxamide.

Molecular Properties

Compound NameN-propyladamantane-1-carboxamide
PubChem CID2903179
Molecular FormulaC14H23NO
Molecular Weight221.34 g/mol
Exact Mass221.18
IUPAC NameN-propyladamantane-1-carboxamide
SMILESCCCNC(=O)C12CC3CC(CC(C3)C1)C2
InChIInChI=1S/C14H23NO/c1-2-3-15-13(16)14-7-10-4-11(8-14)6-12(5-10)9-14/h10-12H,2-9H2,1H3,(H,15,16)
InChIKeyBWUDAHKOSMMQGI-UHFFFAOYSA-N
XLogP2.73
TPSA29.10 Ų
H-Bond Donors1
H-Bond Acceptors1
Rotatable Bonds3
Heavy Atoms16
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500221.34
LogP ≤ 52.73
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 101

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Related Compounds

3-[(1-Adamantylcarbonyl)amino]propanoic acid
CID 2456580
Tricyclo(3.3.1.13,7)decane-1-carboxamide, N-(2-(diethylamino)ethyl)-, hydrochloride (1:1)
CID 212874
2-Adamantan-1-yl-N-decyl-acetamide
CID 11382033
Adamantan-1-yl-piperazin-1-yl-methanone
CID 17233943
1-(1-Adamantyl)-2-(isopropylamino)ethanone
CID 551582
(2S)-2-(adamantan-1-yl)-2-amino-N-[(1S)-1-cyanoethyl]acetamide
CID 23645892
N-(2-adamantyl)cyclohexanecarboxamide
CID 891290
2-(1-adamantyl)-N-cyclopropylacetamide
CID 5116038
(3,5-Dimethyl-1-adamantyl)-pyrrolidin-1-ylmethanone
CID 6464652
N-(2-adamantyl)butanamide
CID 894015
2-(adamantan-1-yl)-N-methylacetamide
CID 610088
N,N-Dimethyl-1-adamantylcarboxamide
CID 137044

Frequently Asked Questions

What is the IUPAC name of N-propyladamantane-1-carboxamide?
The IUPAC name of N-propyladamantane-1-carboxamide (CID 2903179) is N-propyladamantane-1-carboxamide.
What is the SMILES notation for N-propyladamantane-1-carboxamide?
The canonical SMILES for N-propyladamantane-1-carboxamide is CCCNC(=O)C12CC3CC(CC(C3)C1)C2.
What is the InChIKey of N-propyladamantane-1-carboxamide?
The InChIKey is BWUDAHKOSMMQGI-UHFFFAOYSA-N. The full InChI is InChI=1S/C14H23NO/c1-2-3-15-13(16)14-7-10-4-11(8-14)6-12(5-10)9-14/h10-12H,2-9H2,1H3,(H,15,16).
What are the key properties of N-propyladamantane-1-carboxamide?
N-propyladamantane-1-carboxamide has a molecular weight of 221.34 g/mol, XLogP of 2.73, 3 rotatable bonds, 1 hydrogen bond donors, and 1 hydrogen bond acceptors.
Where does this data come from?
All data for N-propyladamantane-1-carboxamide is sourced from PubChem (CID 2903179), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).