3-(cyclopropylcarbamoylamino)-N-[(2-ethoxyphenyl)methyl]-N-methylbenzamide

C21H25N3O3 — CID 55957402

IUPAC3-(cyclopropylcarbamoylamino)-N-[(2-ethoxyphenyl)methyl]-N-methylbenzamide
SMILESCCOc1ccccc1CN(C)C(=O)c1cccc(NC(=O)NC2CC2)c1
InChIInChI=1S/C21H25N3O3/c1-3-27-19-10-5-4-7-16(19)14-24(2)20(25)15-8-6-9-18(13-15)23-21(26)22-17-11-12-17/h4-10,13,17H,3,11-12,14H2,1-2H3,(H2,22,23,26)
InChIKeyNADOPUZKEODMNS-UHFFFAOYSA-N
MW367.45 g/mol
LogP3.64
Rot. Bonds7

About 3-(cyclopropylcarbamoylamino)-N-[(2-ethoxyphenyl)methyl]-N-methylbenzamide

3-(cyclopropylcarbamoylamino)-N-[(2-ethoxyphenyl)methyl]-N-methylbenzamide (PubChem CID 55957402) has the molecular formula C21H25N3O3 and a molecular weight of 367.45 g/mol. Its IUPAC name is 3-(cyclopropylcarbamoylamino)-N-[(2-ethoxyphenyl)methyl]-N-methylbenzamide.

Molecular Properties

Compound Name3-(cyclopropylcarbamoylamino)-N-[(2-ethoxyphenyl)methyl]-N-methylbenzamide
PubChem CID55957402
Molecular FormulaC21H25N3O3
Molecular Weight367.45 g/mol
Exact Mass367.19
IUPAC Name3-(cyclopropylcarbamoylamino)-N-[(2-ethoxyphenyl)methyl]-N-methylbenzamide
SMILESCCOc1ccccc1CN(C)C(=O)c1cccc(NC(=O)NC2CC2)c1
InChIInChI=1S/C21H25N3O3/c1-3-27-19-10-5-4-7-16(19)14-24(2)20(25)15-8-6-9-18(13-15)23-21(26)22-17-11-12-17/h4-10,13,17H,3,11-12,14H2,1-2H3,(H2,22,23,26)
InChIKeyNADOPUZKEODMNS-UHFFFAOYSA-N
XLogP3.64
TPSA70.67 Ų
H-Bond Donors2
H-Bond Acceptors3
Rotatable Bonds7
Heavy Atoms27
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500367.45
LogP ≤ 53.64
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 103

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Related Compounds

4-(cyclopropylcarbamoylamino)-N-[(2-methoxyphenyl)methyl]-N-methylbenzamide
CID 55665974
3-(cyclopropylcarbamoylamino)-N-[(2-ethyl-1-benzofuran-3-yl)methyl]-N-methylbenzamide
CID 55882454
N-[(2-ethoxyphenyl)methyl]-3-iodo-N-methylbenzamide
CID 61026834
1-cyclopentyl-3-(3-ethoxyphenyl)urea
CID 47264657
ethyl 3-(cyclobutylcarbamoylamino)benzoate
CID 3737149
1-(3-acetylphenyl)-3-cyclopropylurea
CID 47032116
3-(cyclopropylamino)-N-[(2-ethoxyphenyl)methyl]-N-methylpropanamide
CID 60962807
2-chloro-N-[(2-ethoxyphenyl)methyl]-N-methylquinoline-6-carboxamide
CID 55958040
N-[(2-ethoxyphenyl)methyl]-N-methyl-3-(2-methylpiperidin-1-yl)sulfonylbenzamide
CID 55958037
3-(cyclopropylcarbamoylamino)-N-piperidin-4-yl-N-propylbenzamide
CID 119826265
3-acetamido-N-[(2-chlorophenyl)methyl]-N-methylbenzamide
CID 7677286
2-[4-[(3-acetylphenyl)carbamoylamino]piperidin-1-yl]-N-[(2-methoxyphenyl)methyl]acetamide
CID 3856225

Frequently Asked Questions

What is the IUPAC name of 3-(cyclopropylcarbamoylamino)-N-[(2-ethoxyphenyl)methyl]-N-methylbenzamide?
The IUPAC name of 3-(cyclopropylcarbamoylamino)-N-[(2-ethoxyphenyl)methyl]-N-methylbenzamide (CID 55957402) is 3-(cyclopropylcarbamoylamino)-N-[(2-ethoxyphenyl)methyl]-N-methylbenzamide.
What is the SMILES notation for 3-(cyclopropylcarbamoylamino)-N-[(2-ethoxyphenyl)methyl]-N-methylbenzamide?
The canonical SMILES for 3-(cyclopropylcarbamoylamino)-N-[(2-ethoxyphenyl)methyl]-N-methylbenzamide is CCOc1ccccc1CN(C)C(=O)c1cccc(NC(=O)NC2CC2)c1.
What is the InChIKey of 3-(cyclopropylcarbamoylamino)-N-[(2-ethoxyphenyl)methyl]-N-methylbenzamide?
The InChIKey is NADOPUZKEODMNS-UHFFFAOYSA-N. The full InChI is InChI=1S/C21H25N3O3/c1-3-27-19-10-5-4-7-16(19)14-24(2)20(25)15-8-6-9-18(13-15)23-21(26)22-17-11-12-17/h4-10,13,17H,3,11-12,14H2,1-2H3,(H2,22,23,26).
What are the key properties of 3-(cyclopropylcarbamoylamino)-N-[(2-ethoxyphenyl)methyl]-N-methylbenzamide?
3-(cyclopropylcarbamoylamino)-N-[(2-ethoxyphenyl)methyl]-N-methylbenzamide has a molecular weight of 367.45 g/mol, XLogP of 3.64, 7 rotatable bonds, 2 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 3-(cyclopropylcarbamoylamino)-N-[(2-ethoxyphenyl)methyl]-N-methylbenzamide is sourced from PubChem (CID 55957402), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).