N-[2,5-diethoxy-4-(propan-2-ylcarbamoylamino)phenyl]benzamide

C21H27N3O4 — CID 1051988

IUPACN-[2,5-diethoxy-4-(propan-2-ylcarbamoylamino)phenyl]benzamide
SMILESCCOc1cc(NC(=O)c2ccccc2)c(OCC)cc1NC(=O)NC(C)C
InChIInChI=1S/C21H27N3O4/c1-5-27-18-13-17(24-21(26)22-14(3)4)19(28-6-2)12-16(18)23-20(25)15-10-8-7-9-11-15/h7-14H,5-6H2,1-4H3,(H,23,25)(H2,22,24,26)
InChIKeyKVXNPGKTBRVTMR-UHFFFAOYSA-N
MW385.46 g/mol
LogP4.27
Rot. Bonds8

About N-[2,5-diethoxy-4-(propan-2-ylcarbamoylamino)phenyl]benzamide

N-[2,5-diethoxy-4-(propan-2-ylcarbamoylamino)phenyl]benzamide (PubChem CID 1051988) has the molecular formula C21H27N3O4 and a molecular weight of 385.46 g/mol. Its IUPAC name is N-[2,5-diethoxy-4-(propan-2-ylcarbamoylamino)phenyl]benzamide.

Molecular Properties

Compound NameN-[2,5-diethoxy-4-(propan-2-ylcarbamoylamino)phenyl]benzamide
PubChem CID1051988
Molecular FormulaC21H27N3O4
Molecular Weight385.46 g/mol
Exact Mass385.20
IUPAC NameN-[2,5-diethoxy-4-(propan-2-ylcarbamoylamino)phenyl]benzamide
SMILESCCOc1cc(NC(=O)c2ccccc2)c(OCC)cc1NC(=O)NC(C)C
InChIInChI=1S/C21H27N3O4/c1-5-27-18-13-17(24-21(26)22-14(3)4)19(28-6-2)12-16(18)23-20(25)15-10-8-7-9-11-15/h7-14H,5-6H2,1-4H3,(H,23,25)(H2,22,24,26)
InChIKeyKVXNPGKTBRVTMR-UHFFFAOYSA-N
XLogP4.27
TPSA88.69 Ų
H-Bond Donors3
H-Bond Acceptors4
Rotatable Bonds8
Heavy Atoms28
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500385.46
LogP ≤ 54.27
H-Bond Donors ≤ 53
H-Bond Acceptors ≤ 104

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Related Compounds

N-(4-benzamido-2,5-diethoxyphenyl)benzamide
CID 1147279
N-[4-(2-aminopentanoylamino)-2,5-diethoxyphenyl]benzamide;hydrochloride
CID 119265926
N-(4-benzamido-2,5-diethoxyphenyl)-2-methylbenzamide
CID 1051986
N-[2,5-diethoxy-4-[2-(4-fluorophenoxy)propanoylamino]phenyl]benzamide
CID 43008457
N-[4-(3-aminopropanoylamino)-2,5-diethoxyphenyl]benzamide;hydrochloride
CID 119265923
N-(4-benzamido-2,5-diethoxyphenyl)-3-(trifluoromethyl)benzamide
CID 2128081
N-[2,5-diethoxy-4-[[3-(trifluoromethyl)phenyl]carbamoylamino]phenyl]benzamide
CID 5163768
N-[4-[[2-[3,3-dimethylbutan-2-yl(methyl)amino]acetyl]amino]-2,5-diethoxyphenyl]benzamide
CID 43061699
1-[2-ethoxy-5-(trifluoromethyl)phenyl]-3-propan-2-ylurea
CID 60586531
N-[2,5-diethoxy-4-[(1-phenylcyclopropanecarbonyl)amino]phenyl]benzamide
CID 29457055
N-[2,5-diethoxy-4-(phenylcarbamoylamino)phenyl]-2-methylpropanamide
CID 1428145
N-[4-[[2-(4-bromo-2-propan-2-ylphenoxy)acetyl]amino]-2,5-diethoxyphenyl]benzamide
CID 19203094

Frequently Asked Questions

What is the IUPAC name of N-[2,5-diethoxy-4-(propan-2-ylcarbamoylamino)phenyl]benzamide?
The IUPAC name of N-[2,5-diethoxy-4-(propan-2-ylcarbamoylamino)phenyl]benzamide (CID 1051988) is N-[2,5-diethoxy-4-(propan-2-ylcarbamoylamino)phenyl]benzamide.
What is the SMILES notation for N-[2,5-diethoxy-4-(propan-2-ylcarbamoylamino)phenyl]benzamide?
The canonical SMILES for N-[2,5-diethoxy-4-(propan-2-ylcarbamoylamino)phenyl]benzamide is CCOc1cc(NC(=O)c2ccccc2)c(OCC)cc1NC(=O)NC(C)C.
What is the InChIKey of N-[2,5-diethoxy-4-(propan-2-ylcarbamoylamino)phenyl]benzamide?
The InChIKey is KVXNPGKTBRVTMR-UHFFFAOYSA-N. The full InChI is InChI=1S/C21H27N3O4/c1-5-27-18-13-17(24-21(26)22-14(3)4)19(28-6-2)12-16(18)23-20(25)15-10-8-7-9-11-15/h7-14H,5-6H2,1-4H3,(H,23,25)(H2,22,24,26).
What are the key properties of N-[2,5-diethoxy-4-(propan-2-ylcarbamoylamino)phenyl]benzamide?
N-[2,5-diethoxy-4-(propan-2-ylcarbamoylamino)phenyl]benzamide has a molecular weight of 385.46 g/mol, XLogP of 4.27, 8 rotatable bonds, 3 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for N-[2,5-diethoxy-4-(propan-2-ylcarbamoylamino)phenyl]benzamide is sourced from PubChem (CID 1051988), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).