4-[2-[4-[di(propan-2-yl)carbamoyl]phenyl]ethyl]-N,N-di(propan-2-yl)benzamide

C28H40N2O2 — CID 57341782

IUPAC4-[2-[4-[di(propan-2-yl)carbamoyl]phenyl]ethyl]-N,N-di(propan-2-yl)benzamide
SMILESCC(C)N(C(=O)c1ccc(CCc2ccc(C(=O)N(C(C)C)C(C)C)cc2)cc1)C(C)C
InChIInChI=1S/C28H40N2O2/c1-19(2)29(20(3)4)27(31)25-15-11-23(12-16-25)9-10-24-13-17-26(18-14-24)28(32)30(21(5)6)22(7)8/h11-22H,9-10H2,1-8H3
InChIKeyIFJSJKVUMNCWOE-UHFFFAOYSA-N
MW436.64 g/mol
LogP5.99
Rot. Bonds9

About 4-[2-[4-[di(propan-2-yl)carbamoyl]phenyl]ethyl]-N,N-di(propan-2-yl)benzamide

4-[2-[4-[di(propan-2-yl)carbamoyl]phenyl]ethyl]-N,N-di(propan-2-yl)benzamide (PubChem CID 57341782) has the molecular formula C28H40N2O2 and a molecular weight of 436.64 g/mol. Its IUPAC name is 4-[2-[4-[di(propan-2-yl)carbamoyl]phenyl]ethyl]-N,N-di(propan-2-yl)benzamide.

Molecular Properties

Compound Name4-[2-[4-[di(propan-2-yl)carbamoyl]phenyl]ethyl]-N,N-di(propan-2-yl)benzamide
PubChem CID57341782
Molecular FormulaC28H40N2O2
Molecular Weight436.64 g/mol
Exact Mass436.31
IUPAC Name4-[2-[4-[di(propan-2-yl)carbamoyl]phenyl]ethyl]-N,N-di(propan-2-yl)benzamide
SMILESCC(C)N(C(=O)c1ccc(CCc2ccc(C(=O)N(C(C)C)C(C)C)cc2)cc1)C(C)C
InChIInChI=1S/C28H40N2O2/c1-19(2)29(20(3)4)27(31)25-15-11-23(12-16-25)9-10-24-13-17-26(18-14-24)28(32)30(21(5)6)22(7)8/h11-22H,9-10H2,1-8H3
InChIKeyIFJSJKVUMNCWOE-UHFFFAOYSA-N
XLogP5.99
TPSA40.62 Ų
H-Bond Donors
H-Bond Acceptors2
Rotatable Bonds9
Heavy Atoms32
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500436.64
LogP ≤ 55.99
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 102

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Related Compounds

4-(chloromethyl)-N,N-di(propan-2-yl)benzamide
CID 98000579
4-[3-(1-methyl-6-oxo-3-pyridinyl)propyl]-N,N-di(propan-2-yl)benzamide
CID 11725697
[4-[di(propan-2-yl)carbamoyl]phenyl]methyl-triphenylphosphanium bromide
CID 10393031
1-N-methyl-4-N,4-N-di(propan-2-yl)benzene-1,4-dicarboxamide
CID 793999
benzyl 4-[di(propan-2-yl)carbamoyl]benzoate
CID 870695
4-(propanoylamino)-N,N-di(propan-2-yl)benzamide
CID 110178310
4-[bis(trimethylsilyl)methyl]-N,N-di(propan-2-yl)benzamide
CID 122210203
[2-[[4-[di(propan-2-yl)carbamoyl]phenyl]methyl]phenyl] acetate
CID 22380624
4-[2-(2-bromophenyl)-2-hydroxypropyl]-N,N-di(propan-2-yl)benzamide
CID 102495326
4-[2-[4-[4-[2-[4-[di(propan-2-yl)carbamoyl]phenyl]ethynyl]-N-[4-[2-[4-[di(propan-2-yl)carbamoyl]phenyl]ethynyl]phenyl]anilino]phenyl]ethynyl]-N,N-di(propan-2-yl)benzamide
CID 142414670
N,N-di(propan-2-yl)-4-(1,1,1-trifluoro-2-hydroxypropan-2-yl)benzamide
CID 15986677
4-[3-[methyl(propan-2-yl)amino]propyl]benzoic acid
CID 20738362

Frequently Asked Questions

What is the IUPAC name of 4-[2-[4-[di(propan-2-yl)carbamoyl]phenyl]ethyl]-N,N-di(propan-2-yl)benzamide?
The IUPAC name of 4-[2-[4-[di(propan-2-yl)carbamoyl]phenyl]ethyl]-N,N-di(propan-2-yl)benzamide (CID 57341782) is 4-[2-[4-[di(propan-2-yl)carbamoyl]phenyl]ethyl]-N,N-di(propan-2-yl)benzamide.
What is the SMILES notation for 4-[2-[4-[di(propan-2-yl)carbamoyl]phenyl]ethyl]-N,N-di(propan-2-yl)benzamide?
The canonical SMILES for 4-[2-[4-[di(propan-2-yl)carbamoyl]phenyl]ethyl]-N,N-di(propan-2-yl)benzamide is CC(C)N(C(=O)c1ccc(CCc2ccc(C(=O)N(C(C)C)C(C)C)cc2)cc1)C(C)C.
What is the InChIKey of 4-[2-[4-[di(propan-2-yl)carbamoyl]phenyl]ethyl]-N,N-di(propan-2-yl)benzamide?
The InChIKey is IFJSJKVUMNCWOE-UHFFFAOYSA-N. The full InChI is InChI=1S/C28H40N2O2/c1-19(2)29(20(3)4)27(31)25-15-11-23(12-16-25)9-10-24-13-17-26(18-14-24)28(32)30(21(5)6)22(7)8/h11-22H,9-10H2,1-8H3.
What are the key properties of 4-[2-[4-[di(propan-2-yl)carbamoyl]phenyl]ethyl]-N,N-di(propan-2-yl)benzamide?
4-[2-[4-[di(propan-2-yl)carbamoyl]phenyl]ethyl]-N,N-di(propan-2-yl)benzamide has a molecular weight of 436.64 g/mol, XLogP of 5.99, 9 rotatable bonds, 0 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 4-[2-[4-[di(propan-2-yl)carbamoyl]phenyl]ethyl]-N,N-di(propan-2-yl)benzamide is sourced from PubChem (CID 57341782), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).