2-cyclopropyl-N-[2-[(3,4-dihydroxyphenyl)methylamino]-2-oxoethyl]acetamide

C14H18N2O4 — CID 143041752

IUPAC2-cyclopropyl-N-[2-[(3,4-dihydroxyphenyl)methylamino]-2-oxoethyl]acetamide
SMILESO=C(CNC(=O)CC1CC1)NCc1ccc(O)c(O)c1
InChIInChI=1S/C14H18N2O4/c17-11-4-3-10(5-12(11)18)7-15-14(20)8-16-13(19)6-9-1-2-9/h3-5,9,17-18H,1-2,6-8H2,(H,15,20)(H,16,19)
InChIKeyNSULBUUJJVTBGV-UHFFFAOYSA-N
MW278.31 g/mol
LogP0.63
Rot. Bonds6

About 2-cyclopropyl-N-[2-[(3,4-dihydroxyphenyl)methylamino]-2-oxoethyl]acetamide

2-cyclopropyl-N-[2-[(3,4-dihydroxyphenyl)methylamino]-2-oxoethyl]acetamide (PubChem CID 143041752) has the molecular formula C14H18N2O4 and a molecular weight of 278.31 g/mol. Its IUPAC name is 2-cyclopropyl-N-[2-[(3,4-dihydroxyphenyl)methylamino]-2-oxoethyl]acetamide.

Molecular Properties

Compound Name2-cyclopropyl-N-[2-[(3,4-dihydroxyphenyl)methylamino]-2-oxoethyl]acetamide
PubChem CID143041752
Molecular FormulaC14H18N2O4
Molecular Weight278.31 g/mol
Exact Mass278.13
IUPAC Name2-cyclopropyl-N-[2-[(3,4-dihydroxyphenyl)methylamino]-2-oxoethyl]acetamide
SMILESO=C(CNC(=O)CC1CC1)NCc1ccc(O)c(O)c1
InChIInChI=1S/C14H18N2O4/c17-11-4-3-10(5-12(11)18)7-15-14(20)8-16-13(19)6-9-1-2-9/h3-5,9,17-18H,1-2,6-8H2,(H,15,20)(H,16,19)
InChIKeyNSULBUUJJVTBGV-UHFFFAOYSA-N
XLogP0.63
TPSA98.66 Ų
H-Bond Donors4
H-Bond Acceptors4
Rotatable Bonds6
Heavy Atoms20
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500278.31
LogP ≤ 50.63
H-Bond Donors ≤ 54
H-Bond Acceptors ≤ 104

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'catechol_A(92)', 'substructure': 'N/A'}, {'alert_name': 'catechol', 'substructure': 'N/A'}

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Related Compounds

2-cyclopropyl-N-[(3-hydroxyphenyl)methyl]acetamide
CID 61150791
2-cyclobutyl-N-[(3-hydroxyphenyl)methyl]acetamide
CID 103707492
N-[(3-amino-4-methoxyphenyl)methyl]-2-cyclopropylacetamide
CID 55031718
2-[3-[[[2-[(2-cyclohexylacetyl)amino]acetyl]amino]methyl]phenoxy]acetic acid
CID 119246566
2-(azetidin-3-yl)-N-[2-(benzylamino)-2-oxoethyl]acetamide
CID 64609544
N-[(5-amino-2-hydroxyphenyl)methyl]-2-cyclopentylacetamide
CID 60773770
N-[(3,4-dihydroxyphenyl)methyl]-2,2-dimethylpropanamide
CID 67129617
4-[(cyclobutylmethylamino)methyl]benzene-1,2-diol
CID 43298488
2-cyclobutyl-N-[[3-(hydroxymethyl)phenyl]methyl]acetamide
CID 103710693
2-(cyclopropylmethylamino)-N-[2-[(4-methoxyphenyl)methylamino]-2-oxoethyl]acetamide;hydrochloride
CID 119753123
N-[(3,4-dimethylphenyl)methyl]-2-piperidin-4-ylacetamide
CID 115160672
2-[(3,4-dihydroxyphenyl)methylamino]acetic acid
CID 43135200

Frequently Asked Questions

What is the IUPAC name of 2-cyclopropyl-N-[2-[(3,4-dihydroxyphenyl)methylamino]-2-oxoethyl]acetamide?
The IUPAC name of 2-cyclopropyl-N-[2-[(3,4-dihydroxyphenyl)methylamino]-2-oxoethyl]acetamide (CID 143041752) is 2-cyclopropyl-N-[2-[(3,4-dihydroxyphenyl)methylamino]-2-oxoethyl]acetamide.
What is the SMILES notation for 2-cyclopropyl-N-[2-[(3,4-dihydroxyphenyl)methylamino]-2-oxoethyl]acetamide?
The canonical SMILES for 2-cyclopropyl-N-[2-[(3,4-dihydroxyphenyl)methylamino]-2-oxoethyl]acetamide is O=C(CNC(=O)CC1CC1)NCc1ccc(O)c(O)c1.
What is the InChIKey of 2-cyclopropyl-N-[2-[(3,4-dihydroxyphenyl)methylamino]-2-oxoethyl]acetamide?
The InChIKey is NSULBUUJJVTBGV-UHFFFAOYSA-N. The full InChI is InChI=1S/C14H18N2O4/c17-11-4-3-10(5-12(11)18)7-15-14(20)8-16-13(19)6-9-1-2-9/h3-5,9,17-18H,1-2,6-8H2,(H,15,20)(H,16,19).
What are the key properties of 2-cyclopropyl-N-[2-[(3,4-dihydroxyphenyl)methylamino]-2-oxoethyl]acetamide?
2-cyclopropyl-N-[2-[(3,4-dihydroxyphenyl)methylamino]-2-oxoethyl]acetamide has a molecular weight of 278.31 g/mol, XLogP of 0.63, 6 rotatable bonds, 4 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 2-cyclopropyl-N-[2-[(3,4-dihydroxyphenyl)methylamino]-2-oxoethyl]acetamide is sourced from PubChem (CID 143041752), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).