2-(cyclopropylmethylamino)-N-[[3-(hydroxymethyl)phenyl]methyl]acetamide

C14H20N2O2 — CID 103810427

IUPAC2-(cyclopropylmethylamino)-N-[[3-(hydroxymethyl)phenyl]methyl]acetamide
SMILESO=C(CNCC1CC1)NCc1cccc(CO)c1
InChIInChI=1S/C14H20N2O2/c17-10-13-3-1-2-12(6-13)8-16-14(18)9-15-7-11-4-5-11/h1-3,6,11,15,17H,4-5,7-10H2,(H,16,18)
InChIKeyQLKBWTDGIDZTHA-UHFFFAOYSA-N
MW248.33 g/mol
LogP0.79
Rot. Bonds7

About 2-(cyclopropylmethylamino)-N-[[3-(hydroxymethyl)phenyl]methyl]acetamide

2-(cyclopropylmethylamino)-N-[[3-(hydroxymethyl)phenyl]methyl]acetamide (PubChem CID 103810427) has the molecular formula C14H20N2O2 and a molecular weight of 248.33 g/mol. Its IUPAC name is 2-(cyclopropylmethylamino)-N-[[3-(hydroxymethyl)phenyl]methyl]acetamide.

Molecular Properties

Compound Name2-(cyclopropylmethylamino)-N-[[3-(hydroxymethyl)phenyl]methyl]acetamide
PubChem CID103810427
Molecular FormulaC14H20N2O2
Molecular Weight248.33 g/mol
Exact Mass248.15
IUPAC Name2-(cyclopropylmethylamino)-N-[[3-(hydroxymethyl)phenyl]methyl]acetamide
SMILESO=C(CNCC1CC1)NCc1cccc(CO)c1
InChIInChI=1S/C14H20N2O2/c17-10-13-3-1-2-12(6-13)8-16-14(18)9-15-7-11-4-5-11/h1-3,6,11,15,17H,4-5,7-10H2,(H,16,18)
InChIKeyQLKBWTDGIDZTHA-UHFFFAOYSA-N
XLogP0.79
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 ≤ 50.79
H-Bond Donors ≤ 53
H-Bond Acceptors ≤ 103

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Related Compounds

2-(cyclopropylmethylamino)-N-[(3-methylphenyl)methyl]acetamide
CID 60915187
3-[[[2-(cyclopropylmethylamino)acetyl]amino]methyl]benzoic acid
CID 61160544
2-cyclobutyl-N-[[3-(hydroxymethyl)phenyl]methyl]acetamide
CID 103710693
N-[(3-acetamidophenyl)methyl]-2-(cyclopropylmethylamino)acetamide
CID 119706295
2-(cyclopropylmethylamino)-N-[(3-methoxyphenyl)methyl]acetamide;hydrochloride
CID 119678219
2-(cyclopropylmethylamino)-N-[(3-sulfamoylphenyl)methyl]acetamide
CID 60859149
2-(cyclopropylmethylamino)-N-[[3-(morpholin-4-ylmethyl)phenyl]methyl]acetamide
CID 119847373
N-benzyl-2-(cyclobutylmethylamino)acetamide
CID 43298629
2-(cyclopropylmethylamino)-N-[[3-(2,2,2-trifluoroethoxy)phenyl]methyl]acetamide
CID 119712587
N-[[3-(hydroxymethyl)phenyl]methyl]-2-pyrrolidin-3-ylacetamide
CID 104954757
2-bromo-N-[[3-(hydroxymethyl)phenyl]methyl]acetamide
CID 107216595
1-[[3-[[[2-(cyclopropylmethylamino)acetyl]amino]methyl]phenyl]methyl]piperidine-3-carboxamide
CID 119877013

Frequently Asked Questions

What is the IUPAC name of 2-(cyclopropylmethylamino)-N-[[3-(hydroxymethyl)phenyl]methyl]acetamide?
The IUPAC name of 2-(cyclopropylmethylamino)-N-[[3-(hydroxymethyl)phenyl]methyl]acetamide (CID 103810427) is 2-(cyclopropylmethylamino)-N-[[3-(hydroxymethyl)phenyl]methyl]acetamide.
What is the SMILES notation for 2-(cyclopropylmethylamino)-N-[[3-(hydroxymethyl)phenyl]methyl]acetamide?
The canonical SMILES for 2-(cyclopropylmethylamino)-N-[[3-(hydroxymethyl)phenyl]methyl]acetamide is O=C(CNCC1CC1)NCc1cccc(CO)c1.
What is the InChIKey of 2-(cyclopropylmethylamino)-N-[[3-(hydroxymethyl)phenyl]methyl]acetamide?
The InChIKey is QLKBWTDGIDZTHA-UHFFFAOYSA-N. The full InChI is InChI=1S/C14H20N2O2/c17-10-13-3-1-2-12(6-13)8-16-14(18)9-15-7-11-4-5-11/h1-3,6,11,15,17H,4-5,7-10H2,(H,16,18).
What are the key properties of 2-(cyclopropylmethylamino)-N-[[3-(hydroxymethyl)phenyl]methyl]acetamide?
2-(cyclopropylmethylamino)-N-[[3-(hydroxymethyl)phenyl]methyl]acetamide has a molecular weight of 248.33 g/mol, XLogP of 0.79, 7 rotatable bonds, 3 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 2-(cyclopropylmethylamino)-N-[[3-(hydroxymethyl)phenyl]methyl]acetamide is sourced from PubChem (CID 103810427), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).