N-[(3-acetamidophenyl)methyl]-2-(cyclopropylmethylamino)acetamide

C15H21N3O2 — CID 119706295

IUPACN-[(3-acetamidophenyl)methyl]-2-(cyclopropylmethylamino)acetamide
SMILESCC(=O)Nc1cccc(CNC(=O)CNCC2CC2)c1
InChIInChI=1S/C15H21N3O2/c1-11(19)18-14-4-2-3-13(7-14)9-17-15(20)10-16-8-12-5-6-12/h2-4,7,12,16H,5-6,8-10H2,1H3,(H,17,20)(H,18,19)
InChIKeyWHHKBGBIXIIBJC-UHFFFAOYSA-N
MW275.35 g/mol
LogP1.26
Rot. Bonds7

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

N-[(3-acetamidophenyl)methyl]-2-(cyclopropylmethylamino)acetamide (PubChem CID 119706295) has the molecular formula C15H21N3O2 and a molecular weight of 275.35 g/mol. Its IUPAC name is N-[(3-acetamidophenyl)methyl]-2-(cyclopropylmethylamino)acetamide.

Molecular Properties

Compound NameN-[(3-acetamidophenyl)methyl]-2-(cyclopropylmethylamino)acetamide
PubChem CID119706295
Molecular FormulaC15H21N3O2
Molecular Weight275.35 g/mol
Exact Mass275.16
IUPAC NameN-[(3-acetamidophenyl)methyl]-2-(cyclopropylmethylamino)acetamide
SMILESCC(=O)Nc1cccc(CNC(=O)CNCC2CC2)c1
InChIInChI=1S/C15H21N3O2/c1-11(19)18-14-4-2-3-13(7-14)9-17-15(20)10-16-8-12-5-6-12/h2-4,7,12,16H,5-6,8-10H2,1H3,(H,17,20)(H,18,19)
InChIKeyWHHKBGBIXIIBJC-UHFFFAOYSA-N
XLogP1.26
TPSA70.23 Ų
H-Bond Donors3
H-Bond Acceptors3
Rotatable Bonds7
Heavy Atoms20
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500275.35
LogP ≤ 51.26
H-Bond Donors ≤ 53
H-Bond Acceptors ≤ 103

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Related Compounds

N-[3-[[[2-(cyclopropylmethylamino)acetyl]amino]methyl]phenyl]-2-methylbutanamide;hydrochloride
CID 119716873
2-(cyclopropylmethylamino)-N-[(3-methylphenyl)methyl]acetamide
CID 60915187
2-(cyclopropylmethylamino)-N-[[3-(hydroxymethyl)phenyl]methyl]acetamide
CID 103810427
N-[3-[[(4-methylcyclohexyl)methylcarbamoylamino]methyl]phenyl]acetamide
CID 56798858
2-(cyclopropylmethylamino)-N-[(3-methoxyphenyl)methyl]acetamide;hydrochloride
CID 119678219
3-[[[2-(cyclopropylmethylamino)acetyl]amino]methyl]benzoic acid
CID 61160544
2-(cyclopropylmethylamino)-N-[(3-sulfamoylphenyl)methyl]acetamide
CID 60859149
3-[3-[[2-(cyclopropylmethylamino)acetyl]amino]phenyl]propanoic acid
CID 115339894
N-benzyl-2-(cyclobutylmethylamino)acetamide
CID 43298629
2-(cyclopropylmethylamino)-N-[[3-(morpholin-4-ylmethyl)phenyl]methyl]acetamide
CID 119847373
2-(cyclopropylmethylamino)-N-[[3-(2,2,2-trifluoroethoxy)phenyl]methyl]acetamide
CID 119712587
N-[3-(ethylaminomethyl)phenyl]acetamide
CID 43601248

Frequently Asked Questions

What is the IUPAC name of N-[(3-acetamidophenyl)methyl]-2-(cyclopropylmethylamino)acetamide?
The IUPAC name of N-[(3-acetamidophenyl)methyl]-2-(cyclopropylmethylamino)acetamide (CID 119706295) is N-[(3-acetamidophenyl)methyl]-2-(cyclopropylmethylamino)acetamide.
What is the SMILES notation for N-[(3-acetamidophenyl)methyl]-2-(cyclopropylmethylamino)acetamide?
The canonical SMILES for N-[(3-acetamidophenyl)methyl]-2-(cyclopropylmethylamino)acetamide is CC(=O)Nc1cccc(CNC(=O)CNCC2CC2)c1.
What is the InChIKey of N-[(3-acetamidophenyl)methyl]-2-(cyclopropylmethylamino)acetamide?
The InChIKey is WHHKBGBIXIIBJC-UHFFFAOYSA-N. The full InChI is InChI=1S/C15H21N3O2/c1-11(19)18-14-4-2-3-13(7-14)9-17-15(20)10-16-8-12-5-6-12/h2-4,7,12,16H,5-6,8-10H2,1H3,(H,17,20)(H,18,19).
What are the key properties of N-[(3-acetamidophenyl)methyl]-2-(cyclopropylmethylamino)acetamide?
N-[(3-acetamidophenyl)methyl]-2-(cyclopropylmethylamino)acetamide has a molecular weight of 275.35 g/mol, XLogP of 1.26, 7 rotatable bonds, 3 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for N-[(3-acetamidophenyl)methyl]-2-(cyclopropylmethylamino)acetamide is sourced from PubChem (CID 119706295), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).