3-(cyclopropylamino)-N-[4-(methoxymethyl)phenyl]propanamide

C14H20N2O2 — CID 114253132

IUPAC3-(cyclopropylamino)-N-[4-(methoxymethyl)phenyl]propanamide
SMILESCOCc1ccc(NC(=O)CCNC2CC2)cc1
InChIInChI=1S/C14H20N2O2/c1-18-10-11-2-4-13(5-3-11)16-14(17)8-9-15-12-6-7-12/h2-5,12,15H,6-10H2,1H3,(H,16,17)
InChIKeyZGAHYILKDMWKGG-UHFFFAOYSA-N
MW248.33 g/mol
LogP1.91
Rot. Bonds7

About 3-(cyclopropylamino)-N-[4-(methoxymethyl)phenyl]propanamide

3-(cyclopropylamino)-N-[4-(methoxymethyl)phenyl]propanamide (PubChem CID 114253132) has the molecular formula C14H20N2O2 and a molecular weight of 248.33 g/mol. Its IUPAC name is 3-(cyclopropylamino)-N-[4-(methoxymethyl)phenyl]propanamide.

Molecular Properties

Compound Name3-(cyclopropylamino)-N-[4-(methoxymethyl)phenyl]propanamide
PubChem CID114253132
Molecular FormulaC14H20N2O2
Molecular Weight248.33 g/mol
Exact Mass248.15
IUPAC Name3-(cyclopropylamino)-N-[4-(methoxymethyl)phenyl]propanamide
SMILESCOCc1ccc(NC(=O)CCNC2CC2)cc1
InChIInChI=1S/C14H20N2O2/c1-18-10-11-2-4-13(5-3-11)16-14(17)8-9-15-12-6-7-12/h2-5,12,15H,6-10H2,1H3,(H,16,17)
InChIKeyZGAHYILKDMWKGG-UHFFFAOYSA-N
XLogP1.91
TPSA50.36 Ų
H-Bond Donors2
H-Bond Acceptors3
Rotatable Bonds7
Heavy Atoms18
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500248.33
LogP ≤ 51.91
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 103

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Related Compounds

3-(cyclopropylamino)-N-(4-propylphenyl)propanamide
CID 54924971
N-(4-acetylphenyl)-3-(cyclopropylamino)propanamide
CID 61258440
N-(4-bromophenyl)-3-(cyclopropylamino)propanamide
CID 60723258
3-(cyclopropylamino)-N-(4-methylsulfanylphenyl)propanamide
CID 60842098
N-[4-(methoxymethyl)phenyl]-3-piperidin-4-ylpropanamide
CID 175746452
3-(cyclopropylamino)-N-[6-(2-methoxyethoxy)-3-pyridinyl]propanamide
CID 60867259
3-(cyclopropylamino)-N-[4-(difluoromethoxy)phenyl]propanamide
CID 54924821
3-(cyclopropylamino)-N-[4-[2-(dimethylamino)ethoxy]phenyl]propanamide
CID 60928327
N-(4-chlorophenyl)-3-(cyclopentylamino)propanamide
CID 109013697
3-(cyclopentylamino)-N-[4-(dimethylamino)phenyl]propanamide
CID 109013731
3-(cyclopropylamino)-N-[4-(pyrazol-1-ylmethyl)phenyl]propanamide
CID 60927530
(E)-3-[4-[3-(cyclopropylamino)propanoylamino]phenyl]prop-2-enoic acid
CID 115342324

Frequently Asked Questions

What is the IUPAC name of 3-(cyclopropylamino)-N-[4-(methoxymethyl)phenyl]propanamide?
The IUPAC name of 3-(cyclopropylamino)-N-[4-(methoxymethyl)phenyl]propanamide (CID 114253132) is 3-(cyclopropylamino)-N-[4-(methoxymethyl)phenyl]propanamide.
What is the SMILES notation for 3-(cyclopropylamino)-N-[4-(methoxymethyl)phenyl]propanamide?
The canonical SMILES for 3-(cyclopropylamino)-N-[4-(methoxymethyl)phenyl]propanamide is COCc1ccc(NC(=O)CCNC2CC2)cc1.
What is the InChIKey of 3-(cyclopropylamino)-N-[4-(methoxymethyl)phenyl]propanamide?
The InChIKey is ZGAHYILKDMWKGG-UHFFFAOYSA-N. The full InChI is InChI=1S/C14H20N2O2/c1-18-10-11-2-4-13(5-3-11)16-14(17)8-9-15-12-6-7-12/h2-5,12,15H,6-10H2,1H3,(H,16,17).
What are the key properties of 3-(cyclopropylamino)-N-[4-(methoxymethyl)phenyl]propanamide?
3-(cyclopropylamino)-N-[4-(methoxymethyl)phenyl]propanamide has a molecular weight of 248.33 g/mol, XLogP of 1.91, 7 rotatable bonds, 2 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 3-(cyclopropylamino)-N-[4-(methoxymethyl)phenyl]propanamide is sourced from PubChem (CID 114253132), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).