4-[[methyl-[2-(oxan-2-yl)ethyl]carbamoyl]amino]-N-propylbenzamide

C19H29N3O3 — CID 118769242

IUPAC4-[[methyl-[2-(oxan-2-yl)ethyl]carbamoyl]amino]-N-propylbenzamide
SMILESCCCNC(=O)c1ccc(NC(=O)N(C)CCC2CCCCO2)cc1
InChIInChI=1S/C19H29N3O3/c1-3-12-20-18(23)15-7-9-16(10-8-15)21-19(24)22(2)13-11-17-6-4-5-14-25-17/h7-10,17H,3-6,11-14H2,1-2H3,(H,20,23)(H,21,24)
InChIKeyNYKYBDCAWYQBLN-UHFFFAOYSA-N
MW347.46 g/mol
LogP3.25
Rot. Bonds7

About 4-[[methyl-[2-(oxan-2-yl)ethyl]carbamoyl]amino]-N-propylbenzamide

4-[[methyl-[2-(oxan-2-yl)ethyl]carbamoyl]amino]-N-propylbenzamide (PubChem CID 118769242) has the molecular formula C19H29N3O3 and a molecular weight of 347.46 g/mol. Its IUPAC name is 4-[[methyl-[2-(oxan-2-yl)ethyl]carbamoyl]amino]-N-propylbenzamide.

Molecular Properties

Compound Name4-[[methyl-[2-(oxan-2-yl)ethyl]carbamoyl]amino]-N-propylbenzamide
PubChem CID118769242
Molecular FormulaC19H29N3O3
Molecular Weight347.46 g/mol
Exact Mass347.22
IUPAC Name4-[[methyl-[2-(oxan-2-yl)ethyl]carbamoyl]amino]-N-propylbenzamide
SMILESCCCNC(=O)c1ccc(NC(=O)N(C)CCC2CCCCO2)cc1
InChIInChI=1S/C19H29N3O3/c1-3-12-20-18(23)15-7-9-16(10-8-15)21-19(24)22(2)13-11-17-6-4-5-14-25-17/h7-10,17H,3-6,11-14H2,1-2H3,(H,20,23)(H,21,24)
InChIKeyNYKYBDCAWYQBLN-UHFFFAOYSA-N
XLogP3.25
TPSA70.67 Ų
H-Bond Donors2
H-Bond Acceptors3
Rotatable Bonds7
Heavy Atoms25
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500347.46
LogP ≤ 53.25
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 103

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Related Compounds

3-[4-(difluoromethoxy)phenyl]-1-methyl-1-[2-[(2S)-oxan-2-yl]ethyl]urea
CID 125165120
4-chloro-3-[[methyl-[[(2R)-oxan-2-yl]methyl]carbamoyl]amino]-N-propylbenzamide
CID 97444592
3-(2-methoxyethyl)-1-methyl-1-[2-(oxan-2-yl)ethyl]urea
CID 110426615
4-[2-(oxan-2-yl)ethylcarbamoyl]benzoic acid
CID 106704122
4-amino-N-[2-(oxan-2-yl)ethyl]benzamide
CID 83633238
4-(cyclohexanecarbonylamino)-N-propylbenzamide
CID 17218748
N-tert-butyl-4-[[methyl-[[(2R)-oxolan-2-yl]methyl]carbamoyl]amino]benzamide
CID 94818819
3-(2,4-dimethoxyphenyl)-1-methyl-1-[2-[(2R)-oxan-2-yl]ethyl]urea
CID 124523163
3-(3-chloro-4-methylphenyl)-1-methyl-1-[3-(oxolan-2-yl)propyl]urea
CID 118767228
3-(2-chloro-5-methylphenyl)-1-methyl-1-[2-[(2R)-oxan-2-yl]ethyl]urea
CID 97279208
1-methyl-3-(3-methylbutyl)-1-[2-(oxan-2-yl)ethyl]urea
CID 110426616
4-hydrazinyl-N-[2-(oxolan-2-yl)ethyl]benzamide
CID 62249331

Frequently Asked Questions

What is the IUPAC name of 4-[[methyl-[2-(oxan-2-yl)ethyl]carbamoyl]amino]-N-propylbenzamide?
The IUPAC name of 4-[[methyl-[2-(oxan-2-yl)ethyl]carbamoyl]amino]-N-propylbenzamide (CID 118769242) is 4-[[methyl-[2-(oxan-2-yl)ethyl]carbamoyl]amino]-N-propylbenzamide.
What is the SMILES notation for 4-[[methyl-[2-(oxan-2-yl)ethyl]carbamoyl]amino]-N-propylbenzamide?
The canonical SMILES for 4-[[methyl-[2-(oxan-2-yl)ethyl]carbamoyl]amino]-N-propylbenzamide is CCCNC(=O)c1ccc(NC(=O)N(C)CCC2CCCCO2)cc1.
What is the InChIKey of 4-[[methyl-[2-(oxan-2-yl)ethyl]carbamoyl]amino]-N-propylbenzamide?
The InChIKey is NYKYBDCAWYQBLN-UHFFFAOYSA-N. The full InChI is InChI=1S/C19H29N3O3/c1-3-12-20-18(23)15-7-9-16(10-8-15)21-19(24)22(2)13-11-17-6-4-5-14-25-17/h7-10,17H,3-6,11-14H2,1-2H3,(H,20,23)(H,21,24).
What are the key properties of 4-[[methyl-[2-(oxan-2-yl)ethyl]carbamoyl]amino]-N-propylbenzamide?
4-[[methyl-[2-(oxan-2-yl)ethyl]carbamoyl]amino]-N-propylbenzamide has a molecular weight of 347.46 g/mol, XLogP of 3.25, 7 rotatable bonds, 2 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 4-[[methyl-[2-(oxan-2-yl)ethyl]carbamoyl]amino]-N-propylbenzamide is sourced from PubChem (CID 118769242), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).