N-[(4-acetamidophenyl)methyl]-2-[[1-(methoxymethyl)cyclopropyl]-methylamino]acetamide

C17H25N3O3 — CID 91839245

IUPACN-[(4-acetamidophenyl)methyl]-2-[[1-(methoxymethyl)cyclopropyl]-methylamino]acetamide
SMILESCOCC1(N(C)CC(=O)NCc2ccc(NC(C)=O)cc2)CC1
InChIInChI=1S/C17H25N3O3/c1-13(21)19-15-6-4-14(5-7-15)10-18-16(22)11-20(2)17(8-9-17)12-23-3/h4-7H,8-12H2,1-3H3,(H,18,22)(H,19,21)
InChIKeyFBSUBCCZTDJKON-UHFFFAOYSA-N
MW319.41 g/mol
LogP1.37
Rot. Bonds8

About N-[(4-acetamidophenyl)methyl]-2-[[1-(methoxymethyl)cyclopropyl]-methylamino]acetamide

N-[(4-acetamidophenyl)methyl]-2-[[1-(methoxymethyl)cyclopropyl]-methylamino]acetamide (PubChem CID 91839245) has the molecular formula C17H25N3O3 and a molecular weight of 319.41 g/mol. Its IUPAC name is N-[(4-acetamidophenyl)methyl]-2-[[1-(methoxymethyl)cyclopropyl]-methylamino]acetamide.

Molecular Properties

Compound NameN-[(4-acetamidophenyl)methyl]-2-[[1-(methoxymethyl)cyclopropyl]-methylamino]acetamide
PubChem CID91839245
Molecular FormulaC17H25N3O3
Molecular Weight319.41 g/mol
Exact Mass319.19
IUPAC NameN-[(4-acetamidophenyl)methyl]-2-[[1-(methoxymethyl)cyclopropyl]-methylamino]acetamide
SMILESCOCC1(N(C)CC(=O)NCc2ccc(NC(C)=O)cc2)CC1
InChIInChI=1S/C17H25N3O3/c1-13(21)19-15-6-4-14(5-7-15)10-18-16(22)11-20(2)17(8-9-17)12-23-3/h4-7H,8-12H2,1-3H3,(H,18,22)(H,19,21)
InChIKeyFBSUBCCZTDJKON-UHFFFAOYSA-N
XLogP1.37
TPSA70.67 Ų
H-Bond Donors2
H-Bond Acceptors4
Rotatable Bonds8
Heavy Atoms23
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500319.41
LogP ≤ 51.37
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 104

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Related Compounds

N-[(4-acetamidophenyl)methyl]-2-methoxyacetamide
CID 29327648
methyl 4-[(4-acetamidophenyl)methylamino]-4-oxobutanoate
CID 59342834
N-[[4-(methoxymethyl)phenyl]methyl]-2-[methyl-[2-(4-methylanilino)-2-oxoethyl]amino]acetamide
CID 87012824
N-[(4-acetamidophenyl)methyl]-2-propan-2-yloxyacetamide
CID 47412659
2-[[2-(4-acetamidoanilino)-2-oxoethyl]-ethylamino]-N-[(4-chlorophenyl)methyl]acetamide
CID 8779934
N-[(4-acetamidophenyl)methyl]-2-[methyl-[2-(1-methylpyrazol-4-yl)ethyl]amino]acetamide
CID 135104283
N-[(4-acetamidophenyl)methyl]-1-aminocyclohexane-1-carboxamide;hydrochloride
CID 119277261
N-[(4-acetamidophenyl)methyl]-4-aminobutanamide
CID 61260318
N-[4-[[[(1-methoxy-3-phenylpropan-2-yl)-methylcarbamoyl]amino]methyl]phenyl]acetamide
CID 119045779
methyl N-[4-[[[2-[methyl(thiophene-2-carbonyl)amino]acetyl]amino]methyl]phenyl]carbamate
CID 55845804
1-(4-acetamidophenyl)-N-[(4-methoxyphenyl)methyl]cyclobutane-1-carboxamide
CID 53110552
N-[(4-chlorophenyl)methyl]-2-[[2-(4-methoxyanilino)-2-oxoethyl]-methylamino]acetamide
CID 2658290

Frequently Asked Questions

What is the IUPAC name of N-[(4-acetamidophenyl)methyl]-2-[[1-(methoxymethyl)cyclopropyl]-methylamino]acetamide?
The IUPAC name of N-[(4-acetamidophenyl)methyl]-2-[[1-(methoxymethyl)cyclopropyl]-methylamino]acetamide (CID 91839245) is N-[(4-acetamidophenyl)methyl]-2-[[1-(methoxymethyl)cyclopropyl]-methylamino]acetamide.
What is the SMILES notation for N-[(4-acetamidophenyl)methyl]-2-[[1-(methoxymethyl)cyclopropyl]-methylamino]acetamide?
The canonical SMILES for N-[(4-acetamidophenyl)methyl]-2-[[1-(methoxymethyl)cyclopropyl]-methylamino]acetamide is COCC1(N(C)CC(=O)NCc2ccc(NC(C)=O)cc2)CC1.
What is the InChIKey of N-[(4-acetamidophenyl)methyl]-2-[[1-(methoxymethyl)cyclopropyl]-methylamino]acetamide?
The InChIKey is FBSUBCCZTDJKON-UHFFFAOYSA-N. The full InChI is InChI=1S/C17H25N3O3/c1-13(21)19-15-6-4-14(5-7-15)10-18-16(22)11-20(2)17(8-9-17)12-23-3/h4-7H,8-12H2,1-3H3,(H,18,22)(H,19,21).
What are the key properties of N-[(4-acetamidophenyl)methyl]-2-[[1-(methoxymethyl)cyclopropyl]-methylamino]acetamide?
N-[(4-acetamidophenyl)methyl]-2-[[1-(methoxymethyl)cyclopropyl]-methylamino]acetamide has a molecular weight of 319.41 g/mol, XLogP of 1.37, 8 rotatable bonds, 2 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for N-[(4-acetamidophenyl)methyl]-2-[[1-(methoxymethyl)cyclopropyl]-methylamino]acetamide is sourced from PubChem (CID 91839245), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).