N-[2-amino-2-(4-propan-2-ylphenyl)ethyl]-2-methyl-2-(phenylcarbamoylamino)propanamide

C22H30N4O2 — CID 119527331

IUPACN-[2-amino-2-(4-propan-2-ylphenyl)ethyl]-2-methyl-2-(phenylcarbamoylamino)propanamide
SMILESCC(C)c1ccc(C(N)CNC(=O)C(C)(C)NC(=O)Nc2ccccc2)cc1
InChIInChI=1S/C22H30N4O2/c1-15(2)16-10-12-17(13-11-16)19(23)14-24-20(27)22(3,4)26-21(28)25-18-8-6-5-7-9-18/h5-13,15,19H,14,23H2,1-4H3,(H,24,27)(H2,25,26,28)
InChIKeyMZNSUDRSDPXNEW-UHFFFAOYSA-N
MW382.51 g/mol
LogP3.53
Rot. Bonds7

About N-[2-amino-2-(4-propan-2-ylphenyl)ethyl]-2-methyl-2-(phenylcarbamoylamino)propanamide

N-[2-amino-2-(4-propan-2-ylphenyl)ethyl]-2-methyl-2-(phenylcarbamoylamino)propanamide (PubChem CID 119527331) has the molecular formula C22H30N4O2 and a molecular weight of 382.51 g/mol. Its IUPAC name is N-[2-amino-2-(4-propan-2-ylphenyl)ethyl]-2-methyl-2-(phenylcarbamoylamino)propanamide.

Molecular Properties

Compound NameN-[2-amino-2-(4-propan-2-ylphenyl)ethyl]-2-methyl-2-(phenylcarbamoylamino)propanamide
PubChem CID119527331
Molecular FormulaC22H30N4O2
Molecular Weight382.51 g/mol
Exact Mass382.24
IUPAC NameN-[2-amino-2-(4-propan-2-ylphenyl)ethyl]-2-methyl-2-(phenylcarbamoylamino)propanamide
SMILESCC(C)c1ccc(C(N)CNC(=O)C(C)(C)NC(=O)Nc2ccccc2)cc1
InChIInChI=1S/C22H30N4O2/c1-15(2)16-10-12-17(13-11-16)19(23)14-24-20(27)22(3,4)26-21(28)25-18-8-6-5-7-9-18/h5-13,15,19H,14,23H2,1-4H3,(H,24,27)(H2,25,26,28)
InChIKeyMZNSUDRSDPXNEW-UHFFFAOYSA-N
XLogP3.53
TPSA96.25 Ų
H-Bond Donors4
H-Bond Acceptors3
Rotatable Bonds7
Heavy Atoms28
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500382.51
LogP ≤ 53.53
H-Bond Donors ≤ 54
H-Bond Acceptors ≤ 103

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Frequently Asked Questions

What is the IUPAC name of N-[2-amino-2-(4-propan-2-ylphenyl)ethyl]-2-methyl-2-(phenylcarbamoylamino)propanamide?
The IUPAC name of N-[2-amino-2-(4-propan-2-ylphenyl)ethyl]-2-methyl-2-(phenylcarbamoylamino)propanamide (CID 119527331) is N-[2-amino-2-(4-propan-2-ylphenyl)ethyl]-2-methyl-2-(phenylcarbamoylamino)propanamide.
What is the SMILES notation for N-[2-amino-2-(4-propan-2-ylphenyl)ethyl]-2-methyl-2-(phenylcarbamoylamino)propanamide?
The canonical SMILES for N-[2-amino-2-(4-propan-2-ylphenyl)ethyl]-2-methyl-2-(phenylcarbamoylamino)propanamide is CC(C)c1ccc(C(N)CNC(=O)C(C)(C)NC(=O)Nc2ccccc2)cc1.
What is the InChIKey of N-[2-amino-2-(4-propan-2-ylphenyl)ethyl]-2-methyl-2-(phenylcarbamoylamino)propanamide?
The InChIKey is MZNSUDRSDPXNEW-UHFFFAOYSA-N. The full InChI is InChI=1S/C22H30N4O2/c1-15(2)16-10-12-17(13-11-16)19(23)14-24-20(27)22(3,4)26-21(28)25-18-8-6-5-7-9-18/h5-13,15,19H,14,23H2,1-4H3,(H,24,27)(H2,25,26,28).
What are the key properties of N-[2-amino-2-(4-propan-2-ylphenyl)ethyl]-2-methyl-2-(phenylcarbamoylamino)propanamide?
N-[2-amino-2-(4-propan-2-ylphenyl)ethyl]-2-methyl-2-(phenylcarbamoylamino)propanamide has a molecular weight of 382.51 g/mol, XLogP of 3.53, 7 rotatable bonds, 4 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for N-[2-amino-2-(4-propan-2-ylphenyl)ethyl]-2-methyl-2-(phenylcarbamoylamino)propanamide is sourced from PubChem (CID 119527331), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).