N-[5-[2-(cyclopropylamino)ethyl]-2-methoxyphenyl]acetamide

C14H20N2O2 — CID 98015785

IUPACN-[5-[2-(cyclopropylamino)ethyl]-2-methoxyphenyl]acetamide
SMILESCOc1ccc(CCNC2CC2)cc1NC(C)=O
InChIInChI=1S/C14H20N2O2/c1-10(17)16-13-9-11(3-6-14(13)18-2)7-8-15-12-4-5-12/h3,6,9,12,15H,4-5,7-8H2,1-2H3,(H,16,17)
InChIKeyQKXMEOGDUFKCBA-UHFFFAOYSA-N
MW248.33 g/mol
LogP1.95
Rot. Bonds6

About N-[5-[2-(cyclopropylamino)ethyl]-2-methoxyphenyl]acetamide

N-[5-[2-(cyclopropylamino)ethyl]-2-methoxyphenyl]acetamide (PubChem CID 98015785) has the molecular formula C14H20N2O2 and a molecular weight of 248.33 g/mol. Its IUPAC name is N-[5-[2-(cyclopropylamino)ethyl]-2-methoxyphenyl]acetamide.

Molecular Properties

Compound NameN-[5-[2-(cyclopropylamino)ethyl]-2-methoxyphenyl]acetamide
PubChem CID98015785
Molecular FormulaC14H20N2O2
Molecular Weight248.33 g/mol
Exact Mass248.15
IUPAC NameN-[5-[2-(cyclopropylamino)ethyl]-2-methoxyphenyl]acetamide
SMILESCOc1ccc(CCNC2CC2)cc1NC(C)=O
InChIInChI=1S/C14H20N2O2/c1-10(17)16-13-9-11(3-6-14(13)18-2)7-8-15-12-4-5-12/h3,6,9,12,15H,4-5,7-8H2,1-2H3,(H,16,17)
InChIKeyQKXMEOGDUFKCBA-UHFFFAOYSA-N
XLogP1.95
TPSA50.36 Ų
H-Bond Donors2
H-Bond Acceptors3
Rotatable Bonds6
Heavy Atoms18
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500248.33
LogP ≤ 51.95
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 103

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Related Compounds

N-[2-(3-ethyl-4-methoxyphenyl)ethyl]cyclopropanamine
CID 94682821
4-N-[2-(4-methoxy-3-methylphenyl)ethyl]cyclohexane-1,4-diamine
CID 115149862
N-[5-(3-cyanopropyl)-2-methoxyphenyl]acetamide
CID 96660405
N-[2-(3-acetamido-4-methoxyphenyl)ethyl]-2-fluorobenzamide
CID 110790226
N-[2-(3-acetamido-4-methoxyphenyl)ethyl]-2-chlorobenzamide
CID 110790237
N-[1-(4-fluorophenyl)ethyl]-4-[2-[4-methoxy-3-(methylamino)phenyl]ethylamino]cyclohexane-1-carboxamide
CID 123136789
N-[2-(3,4-dimethoxyphenyl)ethyl]oxan-4-amine
CID 43608339
N-[5-(3-aminopentyl)-2-methoxyphenyl]acetamide
CID 112513422
N-[2-methoxy-5-[[[(3S)-spiro[3.4]octan-3-yl]amino]methyl]phenyl]acetamide
CID 100690841
N-[(3-acetamido-4-methoxyphenyl)methyl]-2-chloroacetamide
CID 13465084
cis-(1S,3R)-N-[2-(3,4-dimethoxyphenyl)ethyl]-3-methylcyclopentan-1-amine
CID 30979844
N-[2-methoxy-5-[[[(1R,3R)-3-(trifluoromethyl)cyclohexyl]amino]methyl]phenyl]acetamide
CID 99626257

Frequently Asked Questions

What is the IUPAC name of N-[5-[2-(cyclopropylamino)ethyl]-2-methoxyphenyl]acetamide?
The IUPAC name of N-[5-[2-(cyclopropylamino)ethyl]-2-methoxyphenyl]acetamide (CID 98015785) is N-[5-[2-(cyclopropylamino)ethyl]-2-methoxyphenyl]acetamide.
What is the SMILES notation for N-[5-[2-(cyclopropylamino)ethyl]-2-methoxyphenyl]acetamide?
The canonical SMILES for N-[5-[2-(cyclopropylamino)ethyl]-2-methoxyphenyl]acetamide is COc1ccc(CCNC2CC2)cc1NC(C)=O.
What is the InChIKey of N-[5-[2-(cyclopropylamino)ethyl]-2-methoxyphenyl]acetamide?
The InChIKey is QKXMEOGDUFKCBA-UHFFFAOYSA-N. The full InChI is InChI=1S/C14H20N2O2/c1-10(17)16-13-9-11(3-6-14(13)18-2)7-8-15-12-4-5-12/h3,6,9,12,15H,4-5,7-8H2,1-2H3,(H,16,17).
What are the key properties of N-[5-[2-(cyclopropylamino)ethyl]-2-methoxyphenyl]acetamide?
N-[5-[2-(cyclopropylamino)ethyl]-2-methoxyphenyl]acetamide has a molecular weight of 248.33 g/mol, XLogP of 1.95, 6 rotatable bonds, 2 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for N-[5-[2-(cyclopropylamino)ethyl]-2-methoxyphenyl]acetamide is sourced from PubChem (CID 98015785), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).