N-[4-[2-(dimethylamino)-2-oxoethyl]phenyl]-4-(propan-2-ylcarbamoylamino)benzamide

C21H26N4O3 — CID 55870064

IUPACN-[4-[2-(dimethylamino)-2-oxoethyl]phenyl]-4-(propan-2-ylcarbamoylamino)benzamide
SMILESCC(C)NC(=O)Nc1ccc(C(=O)Nc2ccc(CC(=O)N(C)C)cc2)cc1
InChIInChI=1S/C21H26N4O3/c1-14(2)22-21(28)24-18-11-7-16(8-12-18)20(27)23-17-9-5-15(6-10-17)13-19(26)25(3)4/h5-12,14H,13H2,1-4H3,(H,23,27)(H2,22,24,28)
InChIKeyNPCLXNGICCVFPN-UHFFFAOYSA-N
MW382.46 g/mol
LogP3.10
Rot. Bonds6

About N-[4-[2-(dimethylamino)-2-oxoethyl]phenyl]-4-(propan-2-ylcarbamoylamino)benzamide

N-[4-[2-(dimethylamino)-2-oxoethyl]phenyl]-4-(propan-2-ylcarbamoylamino)benzamide (PubChem CID 55870064) has the molecular formula C21H26N4O3 and a molecular weight of 382.46 g/mol. Its IUPAC name is N-[4-[2-(dimethylamino)-2-oxoethyl]phenyl]-4-(propan-2-ylcarbamoylamino)benzamide.

Molecular Properties

Compound NameN-[4-[2-(dimethylamino)-2-oxoethyl]phenyl]-4-(propan-2-ylcarbamoylamino)benzamide
PubChem CID55870064
Molecular FormulaC21H26N4O3
Molecular Weight382.46 g/mol
Exact Mass382.20
IUPAC NameN-[4-[2-(dimethylamino)-2-oxoethyl]phenyl]-4-(propan-2-ylcarbamoylamino)benzamide
SMILESCC(C)NC(=O)Nc1ccc(C(=O)Nc2ccc(CC(=O)N(C)C)cc2)cc1
InChIInChI=1S/C21H26N4O3/c1-14(2)22-21(28)24-18-11-7-16(8-12-18)20(27)23-17-9-5-15(6-10-17)13-19(26)25(3)4/h5-12,14H,13H2,1-4H3,(H,23,27)(H2,22,24,28)
InChIKeyNPCLXNGICCVFPN-UHFFFAOYSA-N
XLogP3.10
TPSA90.54 Ų
H-Bond Donors3
H-Bond Acceptors3
Rotatable Bonds6
Heavy Atoms28
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500382.46
LogP ≤ 53.10
H-Bond Donors ≤ 53
H-Bond Acceptors ≤ 103

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Related Compounds

4-ethyl-N-[4-(propan-2-ylcarbamoylamino)phenyl]benzamide
CID 38175728
N-[4-(2-methylpropanoylamino)phenyl]-4-(propan-2-ylcarbamoylamino)benzamide
CID 55824637
4-(methoxymethyl)-N-[4-(propan-2-ylcarbamoylamino)phenyl]benzamide
CID 38196484
4-acetamido-N-[4-(propan-2-ylcarbamoylamino)phenyl]benzamide
CID 38166611
4-benzamido-N-[4-[2-oxo-2-(propan-2-ylamino)ethyl]phenyl]benzamide
CID 39683129
N,N-dimethyl-2-[4-(propan-2-ylamino)phenyl]acetamide
CID 43720790
N-[4-[2-(dimethylamino)-2-oxoethyl]phenyl]-4-[(4-fluorophenyl)sulfonylamino]benzamide
CID 55869288
N-[4-(propan-2-ylcarbamoylamino)phenyl]-2-[4-(trifluoromethyl)phenyl]acetamide
CID 38197953
N-[4-[2-oxo-2-(propan-2-ylamino)ethyl]phenyl]-4-phenylbenzamide
CID 55610839
4-(cyclopropanecarbonylamino)-N-[4-(propan-2-ylcarbamoylamino)phenyl]benzamide
CID 38166430
4-(aminomethyl)-N-[[4-(propan-2-ylcarbamoylamino)phenyl]methyl]benzamide
CID 119293093
4-(propan-2-ylcarbamoylamino)-N-[(4-propan-2-yloxyphenyl)methyl]benzamide
CID 55829604

Frequently Asked Questions

What is the IUPAC name of N-[4-[2-(dimethylamino)-2-oxoethyl]phenyl]-4-(propan-2-ylcarbamoylamino)benzamide?
The IUPAC name of N-[4-[2-(dimethylamino)-2-oxoethyl]phenyl]-4-(propan-2-ylcarbamoylamino)benzamide (CID 55870064) is N-[4-[2-(dimethylamino)-2-oxoethyl]phenyl]-4-(propan-2-ylcarbamoylamino)benzamide.
What is the SMILES notation for N-[4-[2-(dimethylamino)-2-oxoethyl]phenyl]-4-(propan-2-ylcarbamoylamino)benzamide?
The canonical SMILES for N-[4-[2-(dimethylamino)-2-oxoethyl]phenyl]-4-(propan-2-ylcarbamoylamino)benzamide is CC(C)NC(=O)Nc1ccc(C(=O)Nc2ccc(CC(=O)N(C)C)cc2)cc1.
What is the InChIKey of N-[4-[2-(dimethylamino)-2-oxoethyl]phenyl]-4-(propan-2-ylcarbamoylamino)benzamide?
The InChIKey is NPCLXNGICCVFPN-UHFFFAOYSA-N. The full InChI is InChI=1S/C21H26N4O3/c1-14(2)22-21(28)24-18-11-7-16(8-12-18)20(27)23-17-9-5-15(6-10-17)13-19(26)25(3)4/h5-12,14H,13H2,1-4H3,(H,23,27)(H2,22,24,28).
What are the key properties of N-[4-[2-(dimethylamino)-2-oxoethyl]phenyl]-4-(propan-2-ylcarbamoylamino)benzamide?
N-[4-[2-(dimethylamino)-2-oxoethyl]phenyl]-4-(propan-2-ylcarbamoylamino)benzamide has a molecular weight of 382.46 g/mol, XLogP of 3.10, 6 rotatable bonds, 3 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for N-[4-[2-(dimethylamino)-2-oxoethyl]phenyl]-4-(propan-2-ylcarbamoylamino)benzamide is sourced from PubChem (CID 55870064), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).