N-[3-[[3-hydroxy-1-(4-propan-2-ylphenyl)propyl]carbamoylamino]phenyl]-N-methylacetamide

C22H29N3O3 — CID 74237976

IUPACN-[3-[[3-hydroxy-1-(4-propan-2-ylphenyl)propyl]carbamoylamino]phenyl]-N-methylacetamide
SMILESCC(=O)N(C)c1cccc(NC(=O)NC(CCO)c2ccc(C(C)C)cc2)c1
InChIInChI=1S/C22H29N3O3/c1-15(2)17-8-10-18(11-9-17)21(12-13-26)24-22(28)23-19-6-5-7-20(14-19)25(4)16(3)27/h5-11,14-15,21,26H,12-13H2,1-4H3,(H2,23,24,28)
InChIKeyLUCAINZFGAKIPB-UHFFFAOYSA-N
MW383.49 g/mol
LogP4.04
Rot. Bonds7

About N-[3-[[3-hydroxy-1-(4-propan-2-ylphenyl)propyl]carbamoylamino]phenyl]-N-methylacetamide

N-[3-[[3-hydroxy-1-(4-propan-2-ylphenyl)propyl]carbamoylamino]phenyl]-N-methylacetamide (PubChem CID 74237976) has the molecular formula C22H29N3O3 and a molecular weight of 383.49 g/mol. Its IUPAC name is N-[3-[[3-hydroxy-1-(4-propan-2-ylphenyl)propyl]carbamoylamino]phenyl]-N-methylacetamide.

Molecular Properties

Compound NameN-[3-[[3-hydroxy-1-(4-propan-2-ylphenyl)propyl]carbamoylamino]phenyl]-N-methylacetamide
PubChem CID74237976
Molecular FormulaC22H29N3O3
Molecular Weight383.49 g/mol
Exact Mass383.22
IUPAC NameN-[3-[[3-hydroxy-1-(4-propan-2-ylphenyl)propyl]carbamoylamino]phenyl]-N-methylacetamide
SMILESCC(=O)N(C)c1cccc(NC(=O)NC(CCO)c2ccc(C(C)C)cc2)c1
InChIInChI=1S/C22H29N3O3/c1-15(2)17-8-10-18(11-9-17)21(12-13-26)24-22(28)23-19-6-5-7-20(14-19)25(4)16(3)27/h5-11,14-15,21,26H,12-13H2,1-4H3,(H2,23,24,28)
InChIKeyLUCAINZFGAKIPB-UHFFFAOYSA-N
XLogP4.04
TPSA81.67 Ų
H-Bond Donors3
H-Bond Acceptors3
Rotatable Bonds7
Heavy Atoms28
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500383.49
LogP ≤ 54.04
H-Bond Donors ≤ 53
H-Bond Acceptors ≤ 103

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Related Compounds

1-[(1R)-3-hydroxy-1-phenylpropyl]-3-phenylurea
CID 111450283
1-(3-bromophenyl)-3-[(1R)-3-hydroxy-1-phenylpropyl]urea
CID 111452513
(2R)-N-[3-[acetyl(methyl)amino]phenyl]-2-aminopropanamide
CID 119331740
N-[3-[acetyl(methyl)amino]phenyl]-2-(2-methylpropyl)benzamide
CID 119047722
N-methyl-N-[3-(2,2,2-trifluoroethylcarbamoylamino)phenyl]acetamide
CID 118788732
N,N'-bis[3-[acetyl(methyl)amino]phenyl]pentanediamide
CID 46762249
1-(4-hydroxy-1-methylsulfanylbutan-2-yl)-3-(3-propan-2-ylphenyl)urea
CID 111452874
1-(4-hydroxy-1-phenylbutyl)-3-(3-methylphenyl)urea
CID 111450235
N-[3-(carbamoylamino)phenyl]-N-methylacetamide;molecular hydrogen
CID 162429371
N-methyl-N-[3-[[(3S)-3-(4-methylpiperazin-1-yl)butyl]carbamoylamino]phenyl]acetamide
CID 126451419
1-[(1R)-3-hydroxy-1-phenylpropyl]-3-(4-methylphenyl)urea
CID 111450296
N-[[3-[[(1S)-2-hydroxy-1-phenylethyl]carbamoylamino]phenyl]methyl]-N-methylacetamide
CID 56826961

Frequently Asked Questions

What is the IUPAC name of N-[3-[[3-hydroxy-1-(4-propan-2-ylphenyl)propyl]carbamoylamino]phenyl]-N-methylacetamide?
The IUPAC name of N-[3-[[3-hydroxy-1-(4-propan-2-ylphenyl)propyl]carbamoylamino]phenyl]-N-methylacetamide (CID 74237976) is N-[3-[[3-hydroxy-1-(4-propan-2-ylphenyl)propyl]carbamoylamino]phenyl]-N-methylacetamide.
What is the SMILES notation for N-[3-[[3-hydroxy-1-(4-propan-2-ylphenyl)propyl]carbamoylamino]phenyl]-N-methylacetamide?
The canonical SMILES for N-[3-[[3-hydroxy-1-(4-propan-2-ylphenyl)propyl]carbamoylamino]phenyl]-N-methylacetamide is CC(=O)N(C)c1cccc(NC(=O)NC(CCO)c2ccc(C(C)C)cc2)c1.
What is the InChIKey of N-[3-[[3-hydroxy-1-(4-propan-2-ylphenyl)propyl]carbamoylamino]phenyl]-N-methylacetamide?
The InChIKey is LUCAINZFGAKIPB-UHFFFAOYSA-N. The full InChI is InChI=1S/C22H29N3O3/c1-15(2)17-8-10-18(11-9-17)21(12-13-26)24-22(28)23-19-6-5-7-20(14-19)25(4)16(3)27/h5-11,14-15,21,26H,12-13H2,1-4H3,(H2,23,24,28).
What are the key properties of N-[3-[[3-hydroxy-1-(4-propan-2-ylphenyl)propyl]carbamoylamino]phenyl]-N-methylacetamide?
N-[3-[[3-hydroxy-1-(4-propan-2-ylphenyl)propyl]carbamoylamino]phenyl]-N-methylacetamide has a molecular weight of 383.49 g/mol, XLogP of 4.04, 7 rotatable bonds, 3 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for N-[3-[[3-hydroxy-1-(4-propan-2-ylphenyl)propyl]carbamoylamino]phenyl]-N-methylacetamide is sourced from PubChem (CID 74237976), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).