3-[[cyclopropylmethyl(2-methoxyethyl)carbamoyl]amino]-4-methoxy-N-methylbenzamide

C17H25N3O4 — CID 118773925

IUPAC3-[[cyclopropylmethyl(2-methoxyethyl)carbamoyl]amino]-4-methoxy-N-methylbenzamide
SMILESCNC(=O)c1ccc(OC)c(NC(=O)N(CCOC)CC2CC2)c1
InChIInChI=1S/C17H25N3O4/c1-18-16(21)13-6-7-15(24-3)14(10-13)19-17(22)20(8-9-23-2)11-12-4-5-12/h6-7,10,12H,4-5,8-9,11H2,1-3H3,(H,18,21)(H,19,22)
InChIKeyLGJCCRRZYCBSMT-UHFFFAOYSA-N
MW335.40 g/mol
LogP1.95
Rot. Bonds8

About 3-[[cyclopropylmethyl(2-methoxyethyl)carbamoyl]amino]-4-methoxy-N-methylbenzamide

3-[[cyclopropylmethyl(2-methoxyethyl)carbamoyl]amino]-4-methoxy-N-methylbenzamide (PubChem CID 118773925) has the molecular formula C17H25N3O4 and a molecular weight of 335.40 g/mol. Its IUPAC name is 3-[[cyclopropylmethyl(2-methoxyethyl)carbamoyl]amino]-4-methoxy-N-methylbenzamide.

Molecular Properties

Compound Name3-[[cyclopropylmethyl(2-methoxyethyl)carbamoyl]amino]-4-methoxy-N-methylbenzamide
PubChem CID118773925
Molecular FormulaC17H25N3O4
Molecular Weight335.40 g/mol
Exact Mass335.18
IUPAC Name3-[[cyclopropylmethyl(2-methoxyethyl)carbamoyl]amino]-4-methoxy-N-methylbenzamide
SMILESCNC(=O)c1ccc(OC)c(NC(=O)N(CCOC)CC2CC2)c1
InChIInChI=1S/C17H25N3O4/c1-18-16(21)13-6-7-15(24-3)14(10-13)19-17(22)20(8-9-23-2)11-12-4-5-12/h6-7,10,12H,4-5,8-9,11H2,1-3H3,(H,18,21)(H,19,22)
InChIKeyLGJCCRRZYCBSMT-UHFFFAOYSA-N
XLogP1.95
TPSA79.90 Ų
H-Bond Donors2
H-Bond Acceptors4
Rotatable Bonds8
Heavy Atoms24
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500335.40
LogP ≤ 51.95
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 104

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Related Compounds

3-[[3-hydroxypropyl(propan-2-yl)carbamoyl]amino]-4-methoxy-N-methylbenzamide
CID 136573479
4-[[2-methoxy-5-(methylcarbamoyl)phenyl]carbamoyl]cyclohexane-1-carboxylic acid
CID 120672574
3-[(3-aminocyclopentanecarbonyl)amino]-4-methoxy-N-methylbenzamide
CID 119714004
3-[(2-cyanoacetyl)amino]-4-methoxy-N-methylbenzamide
CID 168521072
4-[[cycloheptyl(methyl)carbamoyl]amino]-3-methoxy-N-methylbenzamide
CID 138037588
N-[2-methoxy-5-(methylcarbamoyl)phenyl]-4-azatricyclo[4.3.1.13,8]undecane-4-carboxamide
CID 56800037
4-methoxy-3-[(3-methoxybenzoyl)amino]-N-methylbenzamide
CID 87001832
4-cyclopentyl-N-[2-methoxy-5-(methylcarbamoyl)phenyl]piperazine-1-carboxamide
CID 86995011
1-[2-[2-methoxy-5-(methylcarbamoyl)anilino]-2-oxoethyl]cyclopentane-1-carboxylic acid
CID 56816635
4-benzyl-N-[2-methoxy-5-(methylcarbamoyl)phenyl]piperazine-1-carboxamide
CID 86995002
N-(5-amino-2-methoxyphenyl)-3-[cyclopropylmethyl(methyl)amino]propanamide
CID 60984755
4-methoxy-3-[3-(4-methoxyphenyl)propanoylamino]-N-methylbenzamide
CID 87001806

Frequently Asked Questions

What is the IUPAC name of 3-[[cyclopropylmethyl(2-methoxyethyl)carbamoyl]amino]-4-methoxy-N-methylbenzamide?
The IUPAC name of 3-[[cyclopropylmethyl(2-methoxyethyl)carbamoyl]amino]-4-methoxy-N-methylbenzamide (CID 118773925) is 3-[[cyclopropylmethyl(2-methoxyethyl)carbamoyl]amino]-4-methoxy-N-methylbenzamide.
What is the SMILES notation for 3-[[cyclopropylmethyl(2-methoxyethyl)carbamoyl]amino]-4-methoxy-N-methylbenzamide?
The canonical SMILES for 3-[[cyclopropylmethyl(2-methoxyethyl)carbamoyl]amino]-4-methoxy-N-methylbenzamide is CNC(=O)c1ccc(OC)c(NC(=O)N(CCOC)CC2CC2)c1.
What is the InChIKey of 3-[[cyclopropylmethyl(2-methoxyethyl)carbamoyl]amino]-4-methoxy-N-methylbenzamide?
The InChIKey is LGJCCRRZYCBSMT-UHFFFAOYSA-N. The full InChI is InChI=1S/C17H25N3O4/c1-18-16(21)13-6-7-15(24-3)14(10-13)19-17(22)20(8-9-23-2)11-12-4-5-12/h6-7,10,12H,4-5,8-9,11H2,1-3H3,(H,18,21)(H,19,22).
What are the key properties of 3-[[cyclopropylmethyl(2-methoxyethyl)carbamoyl]amino]-4-methoxy-N-methylbenzamide?
3-[[cyclopropylmethyl(2-methoxyethyl)carbamoyl]amino]-4-methoxy-N-methylbenzamide has a molecular weight of 335.40 g/mol, XLogP of 1.95, 8 rotatable bonds, 2 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 3-[[cyclopropylmethyl(2-methoxyethyl)carbamoyl]amino]-4-methoxy-N-methylbenzamide is sourced from PubChem (CID 118773925), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).