4-ethoxy-N-[2-oxo-2-[[4-(propan-2-ylcarbamoylamino)phenyl]methylamino]ethyl]benzamide

C22H28N4O4 — CID 46465059

IUPAC4-ethoxy-N-[2-oxo-2-[[4-(propan-2-ylcarbamoylamino)phenyl]methylamino]ethyl]benzamide
SMILESCCOc1ccc(C(=O)NCC(=O)NCc2ccc(NC(=O)NC(C)C)cc2)cc1
InChIInChI=1S/C22H28N4O4/c1-4-30-19-11-7-17(8-12-19)21(28)24-14-20(27)23-13-16-5-9-18(10-6-16)26-22(29)25-15(2)3/h5-12,15H,4,13-14H2,1-3H3,(H,23,27)(H,24,28)(H2,25,26,29)
InChIKeyHTYKEWZBKRMDDW-UHFFFAOYSA-N
MW412.49 g/mol
LogP2.66
Rot. Bonds9

About 4-ethoxy-N-[2-oxo-2-[[4-(propan-2-ylcarbamoylamino)phenyl]methylamino]ethyl]benzamide

4-ethoxy-N-[2-oxo-2-[[4-(propan-2-ylcarbamoylamino)phenyl]methylamino]ethyl]benzamide (PubChem CID 46465059) has the molecular formula C22H28N4O4 and a molecular weight of 412.49 g/mol. Its IUPAC name is 4-ethoxy-N-[2-oxo-2-[[4-(propan-2-ylcarbamoylamino)phenyl]methylamino]ethyl]benzamide.

Molecular Properties

Compound Name4-ethoxy-N-[2-oxo-2-[[4-(propan-2-ylcarbamoylamino)phenyl]methylamino]ethyl]benzamide
PubChem CID46465059
Molecular FormulaC22H28N4O4
Molecular Weight412.49 g/mol
Exact Mass412.21
IUPAC Name4-ethoxy-N-[2-oxo-2-[[4-(propan-2-ylcarbamoylamino)phenyl]methylamino]ethyl]benzamide
SMILESCCOc1ccc(C(=O)NCC(=O)NCc2ccc(NC(=O)NC(C)C)cc2)cc1
InChIInChI=1S/C22H28N4O4/c1-4-30-19-11-7-17(8-12-19)21(28)24-14-20(27)23-13-16-5-9-18(10-6-16)26-22(29)25-15(2)3/h5-12,15H,4,13-14H2,1-3H3,(H,23,27)(H,24,28)(H2,25,26,29)
InChIKeyHTYKEWZBKRMDDW-UHFFFAOYSA-N
XLogP2.66
TPSA108.56 Ų
H-Bond Donors4
H-Bond Acceptors4
Rotatable Bonds9
Heavy Atoms30
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500412.49
LogP ≤ 52.66
H-Bond Donors ≤ 54
H-Bond Acceptors ≤ 104

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Related Compounds

N-[2-[(4-methoxyphenyl)methylamino]-2-oxoethyl]-4-(propan-2-ylcarbamoylamino)benzamide
CID 48503063
4-(propan-2-ylcarbamoylamino)-N-[(4-propan-2-yloxyphenyl)methyl]benzamide
CID 55829604
N-[2-[(4-chlorophenyl)methylamino]-2-oxoethyl]-4-ethoxybenzamide
CID 27660429
4-[[[2-[(4-ethoxybenzoyl)amino]acetyl]amino]methyl]-N-methyl-N-propan-2-ylbenzamide
CID 55636040
4-ethoxy-N-[[4-[[(4-ethoxybenzoyl)amino]methyl]phenyl]methyl]benzamide
CID 3528873
4-(aminomethyl)-N-[[4-(propan-2-ylcarbamoylamino)phenyl]methyl]benzamide
CID 119293093
4-ethoxy-N-[2-[(4-nitrophenyl)methylamino]-2-oxoethyl]benzamide
CID 60552577
N-[(4-cyanophenyl)methyl]-4-(propan-2-ylcarbamoylamino)benzamide
CID 60506191
4-N-(4-ethoxyphenyl)-1-N-[(4-methylphenyl)methyl]benzene-1,4-dicarboxamide
CID 109046981
4-[2-(3-methoxyanilino)-2-oxoethoxy]-N-[[4-(propan-2-ylcarbamoylamino)phenyl]methyl]benzamide
CID 55693837
tert-butyl N-[2-[4-[[(4-ethoxybenzoyl)amino]methyl]anilino]-2-oxoethyl]carbamate
CID 108917576
1-(4-acetylphenyl)-3-[(4-ethoxyphenyl)methyl]urea
CID 108884380

Frequently Asked Questions

What is the IUPAC name of 4-ethoxy-N-[2-oxo-2-[[4-(propan-2-ylcarbamoylamino)phenyl]methylamino]ethyl]benzamide?
The IUPAC name of 4-ethoxy-N-[2-oxo-2-[[4-(propan-2-ylcarbamoylamino)phenyl]methylamino]ethyl]benzamide (CID 46465059) is 4-ethoxy-N-[2-oxo-2-[[4-(propan-2-ylcarbamoylamino)phenyl]methylamino]ethyl]benzamide.
What is the SMILES notation for 4-ethoxy-N-[2-oxo-2-[[4-(propan-2-ylcarbamoylamino)phenyl]methylamino]ethyl]benzamide?
The canonical SMILES for 4-ethoxy-N-[2-oxo-2-[[4-(propan-2-ylcarbamoylamino)phenyl]methylamino]ethyl]benzamide is CCOc1ccc(C(=O)NCC(=O)NCc2ccc(NC(=O)NC(C)C)cc2)cc1.
What is the InChIKey of 4-ethoxy-N-[2-oxo-2-[[4-(propan-2-ylcarbamoylamino)phenyl]methylamino]ethyl]benzamide?
The InChIKey is HTYKEWZBKRMDDW-UHFFFAOYSA-N. The full InChI is InChI=1S/C22H28N4O4/c1-4-30-19-11-7-17(8-12-19)21(28)24-14-20(27)23-13-16-5-9-18(10-6-16)26-22(29)25-15(2)3/h5-12,15H,4,13-14H2,1-3H3,(H,23,27)(H,24,28)(H2,25,26,29).
What are the key properties of 4-ethoxy-N-[2-oxo-2-[[4-(propan-2-ylcarbamoylamino)phenyl]methylamino]ethyl]benzamide?
4-ethoxy-N-[2-oxo-2-[[4-(propan-2-ylcarbamoylamino)phenyl]methylamino]ethyl]benzamide has a molecular weight of 412.49 g/mol, XLogP of 2.66, 9 rotatable bonds, 4 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 4-ethoxy-N-[2-oxo-2-[[4-(propan-2-ylcarbamoylamino)phenyl]methylamino]ethyl]benzamide is sourced from PubChem (CID 46465059), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).