4-[(propan-2-ylcarbamoylamino)methyl]-N-(2-propoxyphenyl)benzamide

C21H27N3O3 — CID 30236258

IUPAC4-[(propan-2-ylcarbamoylamino)methyl]-N-(2-propoxyphenyl)benzamide
SMILESCCCOc1ccccc1NC(=O)c1ccc(CNC(=O)NC(C)C)cc1
InChIInChI=1S/C21H27N3O3/c1-4-13-27-19-8-6-5-7-18(19)24-20(25)17-11-9-16(10-12-17)14-22-21(26)23-15(2)3/h5-12,15H,4,13-14H2,1-3H3,(H,24,25)(H2,22,23,26)
InChIKeyXEFYHPAMQAFZLP-UHFFFAOYSA-N
MW369.47 g/mol
LogP3.94
Rot. Bonds8

About 4-[(propan-2-ylcarbamoylamino)methyl]-N-(2-propoxyphenyl)benzamide

4-[(propan-2-ylcarbamoylamino)methyl]-N-(2-propoxyphenyl)benzamide (PubChem CID 30236258) has the molecular formula C21H27N3O3 and a molecular weight of 369.47 g/mol. Its IUPAC name is 4-[(propan-2-ylcarbamoylamino)methyl]-N-(2-propoxyphenyl)benzamide.

Molecular Properties

Compound Name4-[(propan-2-ylcarbamoylamino)methyl]-N-(2-propoxyphenyl)benzamide
PubChem CID30236258
Molecular FormulaC21H27N3O3
Molecular Weight369.47 g/mol
Exact Mass369.21
IUPAC Name4-[(propan-2-ylcarbamoylamino)methyl]-N-(2-propoxyphenyl)benzamide
SMILESCCCOc1ccccc1NC(=O)c1ccc(CNC(=O)NC(C)C)cc1
InChIInChI=1S/C21H27N3O3/c1-4-13-27-19-8-6-5-7-18(19)24-20(25)17-11-9-16(10-12-17)14-22-21(26)23-15(2)3/h5-12,15H,4,13-14H2,1-3H3,(H,24,25)(H2,22,23,26)
InChIKeyXEFYHPAMQAFZLP-UHFFFAOYSA-N
XLogP3.94
TPSA79.46 Ų
H-Bond Donors3
H-Bond Acceptors3
Rotatable Bonds8
Heavy Atoms27
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500369.47
LogP ≤ 53.94
H-Bond Donors ≤ 53
H-Bond Acceptors ≤ 103

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Related Compounds

4-(bromomethyl)-N-(2-propoxyphenyl)benzamide
CID 102851101
1-[(4-fluorophenyl)methyl]-3-(2-propoxyphenyl)urea
CID 38197539
N-[2-(2-fluorophenoxy)ethyl]-4-[(propan-2-ylcarbamoylamino)methyl]benzamide
CID 9425271
1-N,4-N-bis(2-butoxyphenyl)benzene-1,4-dicarboxamide
CID 17087319
1-[[4-(benzamidocarbamoyl)phenyl]methyl]-3-propan-2-ylurea
CID 40727881
N-ethyl-4-[(propan-2-ylcarbamoylamino)methyl]benzamide
CID 9207204
4-[(4-tert-butylphenoxy)methyl]-N-(2-propoxyphenyl)benzamide
CID 7941963
4-(butan-2-ylsulfamoyl)-N-(2-propoxyphenyl)benzamide
CID 46575308
1-[[2-(hydroxymethyl)phenyl]methyl]-3-(2-propoxyphenyl)urea
CID 110911298
3,4,5-triethoxy-N-(2-propoxyphenyl)benzamide
CID 7941942
N-methyl-4-[(propan-2-ylcarbamoylamino)methyl]benzamide
CID 47116390
N-methoxy-4-[(propan-2-ylcarbamoylamino)methyl]benzamide
CID 33101638

Frequently Asked Questions

What is the IUPAC name of 4-[(propan-2-ylcarbamoylamino)methyl]-N-(2-propoxyphenyl)benzamide?
The IUPAC name of 4-[(propan-2-ylcarbamoylamino)methyl]-N-(2-propoxyphenyl)benzamide (CID 30236258) is 4-[(propan-2-ylcarbamoylamino)methyl]-N-(2-propoxyphenyl)benzamide.
What is the SMILES notation for 4-[(propan-2-ylcarbamoylamino)methyl]-N-(2-propoxyphenyl)benzamide?
The canonical SMILES for 4-[(propan-2-ylcarbamoylamino)methyl]-N-(2-propoxyphenyl)benzamide is CCCOc1ccccc1NC(=O)c1ccc(CNC(=O)NC(C)C)cc1.
What is the InChIKey of 4-[(propan-2-ylcarbamoylamino)methyl]-N-(2-propoxyphenyl)benzamide?
The InChIKey is XEFYHPAMQAFZLP-UHFFFAOYSA-N. The full InChI is InChI=1S/C21H27N3O3/c1-4-13-27-19-8-6-5-7-18(19)24-20(25)17-11-9-16(10-12-17)14-22-21(26)23-15(2)3/h5-12,15H,4,13-14H2,1-3H3,(H,24,25)(H2,22,23,26).
What are the key properties of 4-[(propan-2-ylcarbamoylamino)methyl]-N-(2-propoxyphenyl)benzamide?
4-[(propan-2-ylcarbamoylamino)methyl]-N-(2-propoxyphenyl)benzamide has a molecular weight of 369.47 g/mol, XLogP of 3.94, 8 rotatable bonds, 3 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 4-[(propan-2-ylcarbamoylamino)methyl]-N-(2-propoxyphenyl)benzamide is sourced from PubChem (CID 30236258), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).