N-[4-[[(2-methoxyphenyl)methylcarbamoylamino]methyl]phenyl]acetamide

C18H21N3O3 — CID 38206034

IUPACN-[4-[[(2-methoxyphenyl)methylcarbamoylamino]methyl]phenyl]acetamide
SMILESCOc1ccccc1CNC(=O)NCc1ccc(NC(C)=O)cc1
InChIInChI=1S/C18H21N3O3/c1-13(22)21-16-9-7-14(8-10-16)11-19-18(23)20-12-15-5-3-4-6-17(15)24-2/h3-10H,11-12H2,1-2H3,(H,21,22)(H2,19,20,23)
InChIKeyHWUWMMVVDQSIPA-UHFFFAOYSA-N
MW327.38 g/mol
LogP2.65
Rot. Bonds6

About N-[4-[[(2-methoxyphenyl)methylcarbamoylamino]methyl]phenyl]acetamide

N-[4-[[(2-methoxyphenyl)methylcarbamoylamino]methyl]phenyl]acetamide (PubChem CID 38206034) has the molecular formula C18H21N3O3 and a molecular weight of 327.38 g/mol. Its IUPAC name is N-[4-[[(2-methoxyphenyl)methylcarbamoylamino]methyl]phenyl]acetamide.

Molecular Properties

Compound NameN-[4-[[(2-methoxyphenyl)methylcarbamoylamino]methyl]phenyl]acetamide
PubChem CID38206034
Molecular FormulaC18H21N3O3
Molecular Weight327.38 g/mol
Exact Mass327.16
IUPAC NameN-[4-[[(2-methoxyphenyl)methylcarbamoylamino]methyl]phenyl]acetamide
SMILESCOc1ccccc1CNC(=O)NCc1ccc(NC(C)=O)cc1
InChIInChI=1S/C18H21N3O3/c1-13(22)21-16-9-7-14(8-10-16)11-19-18(23)20-12-15-5-3-4-6-17(15)24-2/h3-10H,11-12H2,1-2H3,(H,21,22)(H2,19,20,23)
InChIKeyHWUWMMVVDQSIPA-UHFFFAOYSA-N
XLogP2.65
TPSA79.46 Ų
H-Bond Donors3
H-Bond Acceptors3
Rotatable Bonds6
Heavy Atoms24
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500327.38
LogP ≤ 52.65
H-Bond Donors ≤ 53
H-Bond Acceptors ≤ 103

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Related Compounds

[(2S)-1-[(2-methoxyphenyl)methylamino]-1-oxopropan-2-yl] 2-(4-acetamidophenyl)acetate
CID 9061126
N-[4-[[2-(2-methoxyphenyl)ethylamino]methyl]phenyl]acetamide
CID 47009079
methyl N-[4-[[[N-[(2-methoxyphenyl)methyl]-N'-methylcarbamimidoyl]amino]methyl]phenyl]carbamate
CID 111216495
1-ethyl-3-[(2-methoxyphenyl)methyl]urea
CID 38151032
2-[(4-fluorophenyl)methylcarbamoylamino]-N-[(2-methoxyphenyl)methyl]acetamide
CID 18159108
4-[[(4-acetamidophenyl)sulfonylamino]methyl]-N-[(2-methoxyphenyl)methyl]benzamide
CID 26775887
1-N-(4-acetamidophenyl)-2-N-[(2-methoxyphenyl)methyl]cyclopropane-1,2-dicarboxamide
CID 109136494
1-(4-acetylphenyl)-3-[(2-methoxyphenyl)methyl]thiourea
CID 19649551
N-[(4-fluorophenyl)methyl]-N'-[(2-methoxyphenyl)methyl]oxamide
CID 44996870
1-[(2-methoxyphenyl)methyl]-3-propylurea
CID 94828368
1-[[3-fluoro-4-(hydroxymethyl)phenyl]methyl]-3-[(2-methoxyphenyl)methyl]urea
CID 51091708
3-(4-acetamidophenyl)sulfonyl-N-[(2-methoxyphenyl)methyl]propanamide
CID 110410097

Frequently Asked Questions

What is the IUPAC name of N-[4-[[(2-methoxyphenyl)methylcarbamoylamino]methyl]phenyl]acetamide?
The IUPAC name of N-[4-[[(2-methoxyphenyl)methylcarbamoylamino]methyl]phenyl]acetamide (CID 38206034) is N-[4-[[(2-methoxyphenyl)methylcarbamoylamino]methyl]phenyl]acetamide.
What is the SMILES notation for N-[4-[[(2-methoxyphenyl)methylcarbamoylamino]methyl]phenyl]acetamide?
The canonical SMILES for N-[4-[[(2-methoxyphenyl)methylcarbamoylamino]methyl]phenyl]acetamide is COc1ccccc1CNC(=O)NCc1ccc(NC(C)=O)cc1.
What is the InChIKey of N-[4-[[(2-methoxyphenyl)methylcarbamoylamino]methyl]phenyl]acetamide?
The InChIKey is HWUWMMVVDQSIPA-UHFFFAOYSA-N. The full InChI is InChI=1S/C18H21N3O3/c1-13(22)21-16-9-7-14(8-10-16)11-19-18(23)20-12-15-5-3-4-6-17(15)24-2/h3-10H,11-12H2,1-2H3,(H,21,22)(H2,19,20,23).
What are the key properties of N-[4-[[(2-methoxyphenyl)methylcarbamoylamino]methyl]phenyl]acetamide?
N-[4-[[(2-methoxyphenyl)methylcarbamoylamino]methyl]phenyl]acetamide has a molecular weight of 327.38 g/mol, XLogP of 2.65, 6 rotatable bonds, 3 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for N-[4-[[(2-methoxyphenyl)methylcarbamoylamino]methyl]phenyl]acetamide is sourced from PubChem (CID 38206034), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).