3-(cyclopropylamino)-N-[[3-(hydroxymethyl)phenyl]methyl]propanamide

C14H20N2O2 — CID 107218439

IUPAC3-(cyclopropylamino)-N-[[3-(hydroxymethyl)phenyl]methyl]propanamide
SMILESO=C(CCNC1CC1)NCc1cccc(CO)c1
InChIInChI=1S/C14H20N2O2/c17-10-12-3-1-2-11(8-12)9-16-14(18)6-7-15-13-4-5-13/h1-3,8,13,15,17H,4-7,9-10H2,(H,16,18)
InChIKeyHBCRULJASXTDEX-UHFFFAOYSA-N
MW248.33 g/mol
LogP0.94
Rot. Bonds7

About 3-(cyclopropylamino)-N-[[3-(hydroxymethyl)phenyl]methyl]propanamide

3-(cyclopropylamino)-N-[[3-(hydroxymethyl)phenyl]methyl]propanamide (PubChem CID 107218439) has the molecular formula C14H20N2O2 and a molecular weight of 248.33 g/mol. Its IUPAC name is 3-(cyclopropylamino)-N-[[3-(hydroxymethyl)phenyl]methyl]propanamide.

Molecular Properties

Compound Name3-(cyclopropylamino)-N-[[3-(hydroxymethyl)phenyl]methyl]propanamide
PubChem CID107218439
Molecular FormulaC14H20N2O2
Molecular Weight248.33 g/mol
Exact Mass248.15
IUPAC Name3-(cyclopropylamino)-N-[[3-(hydroxymethyl)phenyl]methyl]propanamide
SMILESO=C(CCNC1CC1)NCc1cccc(CO)c1
InChIInChI=1S/C14H20N2O2/c17-10-12-3-1-2-11(8-12)9-16-14(18)6-7-15-13-4-5-13/h1-3,8,13,15,17H,4-7,9-10H2,(H,16,18)
InChIKeyHBCRULJASXTDEX-UHFFFAOYSA-N
XLogP0.94
TPSA61.36 Ų
H-Bond Donors3
H-Bond Acceptors3
Rotatable Bonds7
Heavy Atoms18
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500248.33
LogP ≤ 50.94
H-Bond Donors ≤ 53
H-Bond Acceptors ≤ 103

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Related Compounds

3-(cyclopropylamino)-N-[[3-(trifluoromethyl)phenyl]methyl]propanamide
CID 60842789
3-(cyclopropylamino)-N-(2,3-dihydro-1,4-benzodioxin-6-ylmethyl)propanamide
CID 61249787
2-cyclobutyl-N-[[3-(hydroxymethyl)phenyl]methyl]acetamide
CID 103710693
4-chloro-N-[[3-(hydroxymethyl)phenyl]methyl]butanamide
CID 107216596
2-(cyclopropylmethylamino)-N-[[3-(hydroxymethyl)phenyl]methyl]acetamide
CID 103810427
5-bromo-N-[[3-(hydroxymethyl)phenyl]methyl]pentanamide
CID 107910785
2-bromo-N-[[3-(hydroxymethyl)phenyl]methyl]acetamide
CID 107216595
3-(cyclopentylamino)-N-(pyridin-3-ylmethyl)propanamide
CID 109013619
N-[(3-chlorophenyl)methyl]-2-(cyclopropylamino)acetamide
CID 60647316
3-(4-aminophenyl)-N-[[3-(hydroxymethyl)phenyl]methyl]propanamide
CID 107210228
3-(4-fluorophenyl)-N-[[3-(hydroxymethyl)phenyl]methyl]propanamide
CID 63311405
N-[[3-(hydroxymethyl)phenyl]methyl]-2-pyrrolidin-3-ylacetamide
CID 104954757

Frequently Asked Questions

What is the IUPAC name of 3-(cyclopropylamino)-N-[[3-(hydroxymethyl)phenyl]methyl]propanamide?
The IUPAC name of 3-(cyclopropylamino)-N-[[3-(hydroxymethyl)phenyl]methyl]propanamide (CID 107218439) is 3-(cyclopropylamino)-N-[[3-(hydroxymethyl)phenyl]methyl]propanamide.
What is the SMILES notation for 3-(cyclopropylamino)-N-[[3-(hydroxymethyl)phenyl]methyl]propanamide?
The canonical SMILES for 3-(cyclopropylamino)-N-[[3-(hydroxymethyl)phenyl]methyl]propanamide is O=C(CCNC1CC1)NCc1cccc(CO)c1.
What is the InChIKey of 3-(cyclopropylamino)-N-[[3-(hydroxymethyl)phenyl]methyl]propanamide?
The InChIKey is HBCRULJASXTDEX-UHFFFAOYSA-N. The full InChI is InChI=1S/C14H20N2O2/c17-10-12-3-1-2-11(8-12)9-16-14(18)6-7-15-13-4-5-13/h1-3,8,13,15,17H,4-7,9-10H2,(H,16,18).
What are the key properties of 3-(cyclopropylamino)-N-[[3-(hydroxymethyl)phenyl]methyl]propanamide?
3-(cyclopropylamino)-N-[[3-(hydroxymethyl)phenyl]methyl]propanamide has a molecular weight of 248.33 g/mol, XLogP of 0.94, 7 rotatable bonds, 3 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 3-(cyclopropylamino)-N-[[3-(hydroxymethyl)phenyl]methyl]propanamide is sourced from PubChem (CID 107218439), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).