N-[2-(2,6-dimethylmorpholin-4-yl)propyl]-4-(phenylcarbamoylamino)benzamide

C23H30N4O3 — CID 46439567

IUPACN-[2-(2,6-dimethylmorpholin-4-yl)propyl]-4-(phenylcarbamoylamino)benzamide
SMILESCC1CN(C(C)CNC(=O)c2ccc(NC(=O)Nc3ccccc3)cc2)CC(C)O1
InChIInChI=1S/C23H30N4O3/c1-16(27-14-17(2)30-18(3)15-27)13-24-22(28)19-9-11-21(12-10-19)26-23(29)25-20-7-5-4-6-8-20/h4-12,16-18H,13-15H2,1-3H3,(H,24,28)(H2,25,26,29)
InChIKeyVRABWFHWITZUHY-UHFFFAOYSA-N
MW410.52 g/mol
LogP3.56
Rot. Bonds6

About N-[2-(2,6-dimethylmorpholin-4-yl)propyl]-4-(phenylcarbamoylamino)benzamide

N-[2-(2,6-dimethylmorpholin-4-yl)propyl]-4-(phenylcarbamoylamino)benzamide (PubChem CID 46439567) has the molecular formula C23H30N4O3 and a molecular weight of 410.52 g/mol. Its IUPAC name is N-[2-(2,6-dimethylmorpholin-4-yl)propyl]-4-(phenylcarbamoylamino)benzamide.

Molecular Properties

Compound NameN-[2-(2,6-dimethylmorpholin-4-yl)propyl]-4-(phenylcarbamoylamino)benzamide
PubChem CID46439567
Molecular FormulaC23H30N4O3
Molecular Weight410.52 g/mol
Exact Mass410.23
IUPAC NameN-[2-(2,6-dimethylmorpholin-4-yl)propyl]-4-(phenylcarbamoylamino)benzamide
SMILESCC1CN(C(C)CNC(=O)c2ccc(NC(=O)Nc3ccccc3)cc2)CC(C)O1
InChIInChI=1S/C23H30N4O3/c1-16(27-14-17(2)30-18(3)15-27)13-24-22(28)19-9-11-21(12-10-19)26-23(29)25-20-7-5-4-6-8-20/h4-12,16-18H,13-15H2,1-3H3,(H,24,28)(H2,25,26,29)
InChIKeyVRABWFHWITZUHY-UHFFFAOYSA-N
XLogP3.56
TPSA82.70 Ų
H-Bond Donors3
H-Bond Acceptors4
Rotatable Bonds6
Heavy Atoms30
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500410.52
LogP ≤ 53.56
H-Bond Donors ≤ 53
H-Bond Acceptors ≤ 104

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Related Compounds

N-[2-(2,6-dimethylmorpholin-4-yl)propyl]pyridine-4-carboxamide
CID 42958335
N-[[4-[(2,6-dimethylmorpholin-4-yl)methyl]phenyl]methyl]-4-(phenylcarbamoylamino)benzamide
CID 55637021
2-bromo-N-[2-(2,6-dimethylmorpholin-4-yl)propyl]benzamide
CID 46413957
N-[(2S)-2-[(2R,6R)-2,6-dimethylmorpholin-4-yl]propyl]-4-(1,2,4-triazol-1-yl)benzamide
CID 39651009
N-[2-[(2R,6S)-2,6-dimethylmorpholin-4-yl]propyl]aniline
CID 104961099
N-[(2R)-2-[(2R,6S)-2,6-dimethylmorpholin-4-yl]propyl]-4-[(2-methoxyphenyl)-methylsulfamoyl]benzamide
CID 39650274
N-[(2R)-2-[(2S,6R)-2,6-dimethylmorpholin-4-yl]propyl]pyridine-2-carboxamide
CID 98718393
1-[(2S)-2-[(2R,6S)-2,6-dimethylmorpholin-4-yl]propyl]-3-[(2R)-2-[(2R,6R)-2,6-dimethylmorpholin-4-yl]propyl]urea
CID 124736359
3-(difluoromethoxy)-N-[2-(2,6-dimethylmorpholin-4-yl)propyl]benzamide
CID 42958339
4-benzamido-N-[2-(2,6-dimethylmorpholin-4-yl)ethyl]benzamide
CID 43048352
4-(phenylcarbamoylamino)-N-(2-phenyl-2-pyrrolidin-1-ylethyl)benzamide
CID 55436420
N-[2-(2,6-dimethylmorpholin-4-yl)propyl]-3-methylfuran-2-carboxamide
CID 47028009

Frequently Asked Questions

What is the IUPAC name of N-[2-(2,6-dimethylmorpholin-4-yl)propyl]-4-(phenylcarbamoylamino)benzamide?
The IUPAC name of N-[2-(2,6-dimethylmorpholin-4-yl)propyl]-4-(phenylcarbamoylamino)benzamide (CID 46439567) is N-[2-(2,6-dimethylmorpholin-4-yl)propyl]-4-(phenylcarbamoylamino)benzamide.
What is the SMILES notation for N-[2-(2,6-dimethylmorpholin-4-yl)propyl]-4-(phenylcarbamoylamino)benzamide?
The canonical SMILES for N-[2-(2,6-dimethylmorpholin-4-yl)propyl]-4-(phenylcarbamoylamino)benzamide is CC1CN(C(C)CNC(=O)c2ccc(NC(=O)Nc3ccccc3)cc2)CC(C)O1.
What is the InChIKey of N-[2-(2,6-dimethylmorpholin-4-yl)propyl]-4-(phenylcarbamoylamino)benzamide?
The InChIKey is VRABWFHWITZUHY-UHFFFAOYSA-N. The full InChI is InChI=1S/C23H30N4O3/c1-16(27-14-17(2)30-18(3)15-27)13-24-22(28)19-9-11-21(12-10-19)26-23(29)25-20-7-5-4-6-8-20/h4-12,16-18H,13-15H2,1-3H3,(H,24,28)(H2,25,26,29).
What are the key properties of N-[2-(2,6-dimethylmorpholin-4-yl)propyl]-4-(phenylcarbamoylamino)benzamide?
N-[2-(2,6-dimethylmorpholin-4-yl)propyl]-4-(phenylcarbamoylamino)benzamide has a molecular weight of 410.52 g/mol, XLogP of 3.56, 6 rotatable bonds, 3 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for N-[2-(2,6-dimethylmorpholin-4-yl)propyl]-4-(phenylcarbamoylamino)benzamide is sourced from PubChem (CID 46439567), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).