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

C21H27N3O3 — CID 55829604

IUPAC4-(propan-2-ylcarbamoylamino)-N-[(4-propan-2-yloxyphenyl)methyl]benzamide
SMILESCC(C)NC(=O)Nc1ccc(C(=O)NCc2ccc(OC(C)C)cc2)cc1
InChIInChI=1S/C21H27N3O3/c1-14(2)23-21(26)24-18-9-7-17(8-10-18)20(25)22-13-16-5-11-19(12-6-16)27-15(3)4/h5-12,14-15H,13H2,1-4H3,(H,22,25)(H2,23,24,26)
InChIKeyLOPWNMFXYXIJDL-UHFFFAOYSA-N
MW369.47 g/mol
LogP3.93
Rot. Bonds7

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

4-(propan-2-ylcarbamoylamino)-N-[(4-propan-2-yloxyphenyl)methyl]benzamide (PubChem CID 55829604) has the molecular formula C21H27N3O3 and a molecular weight of 369.47 g/mol. Its IUPAC name is 4-(propan-2-ylcarbamoylamino)-N-[(4-propan-2-yloxyphenyl)methyl]benzamide.

Molecular Properties

Compound Name4-(propan-2-ylcarbamoylamino)-N-[(4-propan-2-yloxyphenyl)methyl]benzamide
PubChem CID55829604
Molecular FormulaC21H27N3O3
Molecular Weight369.47 g/mol
Exact Mass369.21
IUPAC Name4-(propan-2-ylcarbamoylamino)-N-[(4-propan-2-yloxyphenyl)methyl]benzamide
SMILESCC(C)NC(=O)Nc1ccc(C(=O)NCc2ccc(OC(C)C)cc2)cc1
InChIInChI=1S/C21H27N3O3/c1-14(2)23-21(26)24-18-9-7-17(8-10-18)20(25)22-13-16-5-11-19(12-6-16)27-15(3)4/h5-12,14-15H,13H2,1-4H3,(H,22,25)(H2,23,24,26)
InChIKeyLOPWNMFXYXIJDL-UHFFFAOYSA-N
XLogP3.93
TPSA79.46 Ų
H-Bond Donors3
H-Bond Acceptors3
Rotatable Bonds7
Heavy Atoms27
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500369.47
LogP ≤ 53.93
H-Bond Donors ≤ 53
H-Bond Acceptors ≤ 103

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Related Compounds

4-(aminomethyl)-N-[[4-(propan-2-ylcarbamoylamino)phenyl]methyl]benzamide
CID 119293093
1-N-benzyl-4-N-(4-propan-2-yloxyphenyl)benzene-1,4-dicarboxamide
CID 109046741
methyl 2-[[4-[(4-propan-2-yloxyphenyl)methylcarbamoylamino]benzoyl]amino]acetate
CID 47033094
N-[2-[(4-methoxyphenyl)methylamino]-2-oxoethyl]-4-(propan-2-ylcarbamoylamino)benzamide
CID 48503063
1-propan-2-yl-3-[(4-propan-2-yloxyphenyl)methyl]urea
CID 47216205
N-[(4-cyanophenyl)methyl]-4-(propan-2-ylcarbamoylamino)benzamide
CID 60506191
4-[[2-oxo-2-[(4-propan-2-yloxyphenyl)methylamino]ethyl]amino]-N-propan-2-ylbenzamide
CID 54840298
N-[4-[(4-propan-2-yloxyphenyl)methylcarbamoyl]phenyl]furan-2-carboxamide
CID 55589199
4-ethoxy-N-[2-oxo-2-[[4-(propan-2-ylcarbamoylamino)phenyl]methylamino]ethyl]benzamide
CID 46465059
N-[(4-ethoxyphenyl)methyl]-4-propan-2-yloxybenzamide
CID 53282891
4-(2-methylpropoxy)-N-[(4-propan-2-yloxyphenyl)methyl]benzamide
CID 43911075
3-methoxy-4-methyl-N-[[4-(propan-2-ylcarbamoylamino)phenyl]methyl]benzamide
CID 46456572

Frequently Asked Questions

What is the IUPAC name of 4-(propan-2-ylcarbamoylamino)-N-[(4-propan-2-yloxyphenyl)methyl]benzamide?
The IUPAC name of 4-(propan-2-ylcarbamoylamino)-N-[(4-propan-2-yloxyphenyl)methyl]benzamide (CID 55829604) is 4-(propan-2-ylcarbamoylamino)-N-[(4-propan-2-yloxyphenyl)methyl]benzamide.
What is the SMILES notation for 4-(propan-2-ylcarbamoylamino)-N-[(4-propan-2-yloxyphenyl)methyl]benzamide?
The canonical SMILES for 4-(propan-2-ylcarbamoylamino)-N-[(4-propan-2-yloxyphenyl)methyl]benzamide is CC(C)NC(=O)Nc1ccc(C(=O)NCc2ccc(OC(C)C)cc2)cc1.
What is the InChIKey of 4-(propan-2-ylcarbamoylamino)-N-[(4-propan-2-yloxyphenyl)methyl]benzamide?
The InChIKey is LOPWNMFXYXIJDL-UHFFFAOYSA-N. The full InChI is InChI=1S/C21H27N3O3/c1-14(2)23-21(26)24-18-9-7-17(8-10-18)20(25)22-13-16-5-11-19(12-6-16)27-15(3)4/h5-12,14-15H,13H2,1-4H3,(H,22,25)(H2,23,24,26).
What are the key properties of 4-(propan-2-ylcarbamoylamino)-N-[(4-propan-2-yloxyphenyl)methyl]benzamide?
4-(propan-2-ylcarbamoylamino)-N-[(4-propan-2-yloxyphenyl)methyl]benzamide has a molecular weight of 369.47 g/mol, XLogP of 3.93, 7 rotatable bonds, 3 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 4-(propan-2-ylcarbamoylamino)-N-[(4-propan-2-yloxyphenyl)methyl]benzamide is sourced from PubChem (CID 55829604), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).