N-[2-(3-phenoxypropanoylamino)ethyl]adamantane-1-carboxamide

C22H30N2O3 — CID 108542343

IUPACN-[2-(3-phenoxypropanoylamino)ethyl]adamantane-1-carboxamide
SMILESO=C(CCOc1ccccc1)NCCNC(=O)C12CC3CC(CC(C3)C1)C2
InChIInChI=1S/C22H30N2O3/c25-20(6-9-27-19-4-2-1-3-5-19)23-7-8-24-21(26)22-13-16-10-17(14-22)12-18(11-16)15-22/h1-5,16-18H,6-15H2,(H,23,25)(H,24,26)
InChIKeyFSBMYSOYLVOTFK-UHFFFAOYSA-N
MW370.49 g/mol
LogP2.90
Rot. Bonds8

About N-[2-(3-phenoxypropanoylamino)ethyl]adamantane-1-carboxamide

N-[2-(3-phenoxypropanoylamino)ethyl]adamantane-1-carboxamide (PubChem CID 108542343) has the molecular formula C22H30N2O3 and a molecular weight of 370.49 g/mol. Its IUPAC name is N-[2-(3-phenoxypropanoylamino)ethyl]adamantane-1-carboxamide.

Molecular Properties

Compound NameN-[2-(3-phenoxypropanoylamino)ethyl]adamantane-1-carboxamide
PubChem CID108542343
Molecular FormulaC22H30N2O3
Molecular Weight370.49 g/mol
Exact Mass370.23
IUPAC NameN-[2-(3-phenoxypropanoylamino)ethyl]adamantane-1-carboxamide
SMILESO=C(CCOc1ccccc1)NCCNC(=O)C12CC3CC(CC(C3)C1)C2
InChIInChI=1S/C22H30N2O3/c25-20(6-9-27-19-4-2-1-3-5-19)23-7-8-24-21(26)22-13-16-10-17(14-22)12-18(11-16)15-22/h1-5,16-18H,6-15H2,(H,23,25)(H,24,26)
InChIKeyFSBMYSOYLVOTFK-UHFFFAOYSA-N
XLogP2.90
TPSA67.43 Ų
H-Bond Donors2
H-Bond Acceptors3
Rotatable Bonds8
Heavy Atoms27
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500370.49
LogP ≤ 52.90
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 103

Computed Properties (RDKit)

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

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Related Compounds

N-(1-adamantylmethyl)-3-phenoxypropanamide
CID 26202952
phenyl 4-(adamantane-1-carbonylamino)butanoate
CID 18281096
N-(2-acetamidoethyl)-3-phenoxypropanamide
CID 46684252
N-[2-(ethylamino)ethyl]-3-phenoxypropanamide;hydrochloride
CID 119506555
3-phenoxy-N-[2-(propylamino)ethyl]propanamide
CID 62658597
N-[3-methyl-1-oxo-1-(3-phenoxypropylamino)butan-2-yl]adamantane-1-carboxamide
CID 18120290
N-[2-(cycloheptylamino)ethyl]-3-phenoxypropanamide;hydrochloride
CID 119620109
N-[4-[2-(2-methylphenyl)ethylamino]-4-oxobutyl]adamantane-1-carboxamide
CID 18190949
N-[2-[(2,2-dichloroacetyl)amino]ethyl]-3-phenoxypropanamide
CID 108573549
3,3-dimethyl-N-[2-(3-phenoxypropanoylamino)ethyl]butanamide
CID 108573551
3-methyl-N-[2-(3-phenoxypropanoylamino)ethyl]butanamide
CID 108538519
N-[2-(1-adamantyl)ethyl]-2-phenoxyacetamide
CID 2921835

Frequently Asked Questions

What is the IUPAC name of N-[2-(3-phenoxypropanoylamino)ethyl]adamantane-1-carboxamide?
The IUPAC name of N-[2-(3-phenoxypropanoylamino)ethyl]adamantane-1-carboxamide (CID 108542343) is N-[2-(3-phenoxypropanoylamino)ethyl]adamantane-1-carboxamide.
What is the SMILES notation for N-[2-(3-phenoxypropanoylamino)ethyl]adamantane-1-carboxamide?
The canonical SMILES for N-[2-(3-phenoxypropanoylamino)ethyl]adamantane-1-carboxamide is O=C(CCOc1ccccc1)NCCNC(=O)C12CC3CC(CC(C3)C1)C2.
What is the InChIKey of N-[2-(3-phenoxypropanoylamino)ethyl]adamantane-1-carboxamide?
The InChIKey is FSBMYSOYLVOTFK-UHFFFAOYSA-N. The full InChI is InChI=1S/C22H30N2O3/c25-20(6-9-27-19-4-2-1-3-5-19)23-7-8-24-21(26)22-13-16-10-17(14-22)12-18(11-16)15-22/h1-5,16-18H,6-15H2,(H,23,25)(H,24,26).
What are the key properties of N-[2-(3-phenoxypropanoylamino)ethyl]adamantane-1-carboxamide?
N-[2-(3-phenoxypropanoylamino)ethyl]adamantane-1-carboxamide has a molecular weight of 370.49 g/mol, XLogP of 2.90, 8 rotatable bonds, 2 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for N-[2-(3-phenoxypropanoylamino)ethyl]adamantane-1-carboxamide is sourced from PubChem (CID 108542343), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).