N-[2-[[(3-amino-2,2-dimethylpropyl)-(cyclohexanecarbonyl)amino]methyl]phenyl]morpholine-4-carboxamide

C24H38N4O3 — CID 23766051

IUPACN-[2-[[(3-amino-2,2-dimethylpropyl)-(cyclohexanecarbonyl)amino]methyl]phenyl]morpholine-4-carboxamide
SMILESCC(C)(CN)CN(Cc1ccccc1NC(=O)N1CCOCC1)C(=O)C1CCCCC1
InChIInChI=1S/C24H38N4O3/c1-24(2,17-25)18-28(22(29)19-8-4-3-5-9-19)16-20-10-6-7-11-21(20)26-23(30)27-12-14-31-15-13-27/h6-7,10-11,19H,3-5,8-9,12-18,25H2,1-2H3,(H,26,30)
InChIKeySMTDWYDZEFRGIN-UHFFFAOYSA-N
MW430.59 g/mol
LogP3.44
Rot. Bonds7

About N-[2-[[(3-amino-2,2-dimethylpropyl)-(cyclohexanecarbonyl)amino]methyl]phenyl]morpholine-4-carboxamide

N-[2-[[(3-amino-2,2-dimethylpropyl)-(cyclohexanecarbonyl)amino]methyl]phenyl]morpholine-4-carboxamide (PubChem CID 23766051) has the molecular formula C24H38N4O3 and a molecular weight of 430.59 g/mol. Its IUPAC name is N-[2-[[(3-amino-2,2-dimethylpropyl)-(cyclohexanecarbonyl)amino]methyl]phenyl]morpholine-4-carboxamide.

Molecular Properties

Compound NameN-[2-[[(3-amino-2,2-dimethylpropyl)-(cyclohexanecarbonyl)amino]methyl]phenyl]morpholine-4-carboxamide
PubChem CID23766051
Molecular FormulaC24H38N4O3
Molecular Weight430.59 g/mol
Exact Mass430.29
IUPAC NameN-[2-[[(3-amino-2,2-dimethylpropyl)-(cyclohexanecarbonyl)amino]methyl]phenyl]morpholine-4-carboxamide
SMILESCC(C)(CN)CN(Cc1ccccc1NC(=O)N1CCOCC1)C(=O)C1CCCCC1
InChIInChI=1S/C24H38N4O3/c1-24(2,17-25)18-28(22(29)19-8-4-3-5-9-19)16-20-10-6-7-11-21(20)26-23(30)27-12-14-31-15-13-27/h6-7,10-11,19H,3-5,8-9,12-18,25H2,1-2H3,(H,26,30)
InChIKeySMTDWYDZEFRGIN-UHFFFAOYSA-N
XLogP3.44
TPSA87.90 Ų
H-Bond Donors2
H-Bond Acceptors4
Rotatable Bonds7
Heavy Atoms31
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500430.59
LogP ≤ 53.44
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 104

Analyze N-[2-[[(3-amino-2,2-dimethylpropyl)-(cyclohexanecarbonyl)amino]methyl]phenyl]morpholine-4-carboxamide with MolForge

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Related Compounds

N-[2-(2-methylbutan-2-yloxymethyl)phenyl]morpholine-4-carboxamide
CID 122141595
N-[4-[[(3-amino-2,2-dimethylpropyl)-(cyclohexanecarbonyl)amino]methyl]phenyl]-2-bromobenzamide
CID 23824744
(3S)-1-N-[2-(methoxymethyl)phenyl]piperidine-1,3-dicarboxamide
CID 172675108
N-[[2-(aminomethyl)phenyl]methyl]-N-ethylcyclohexanecarboxamide
CID 60921545
1-[(2-ethylphenyl)carbamoyl]piperidine-3-carboxylic acid
CID 43318533
(3S)-1-[(2-ethylphenyl)carbamoyl]piperidine-3-carboxylic acid
CID 28512559
N-[2-[(dimethylamino)methyl]phenyl]cyclohexanecarboxamide
CID 31969965
4-[2-[cyclohexanecarbonyl-[(4-fluorophenyl)methyl]amino]ethyl]-N-(2-methylphenyl)piperazine-1-carboxamide
CID 42709601
N-(3-amino-2,2-dimethylpropyl)-N-propylcyclohexanecarboxamide
CID 79668335
2-[2-(pyrrolidine-1-carbonylamino)phenyl]acetic acid
CID 62536138
N-[2-(hydroxymethyl)phenyl]pyrrolidine-1-carboxamide
CID 79161334
N-[(2-chlorophenyl)methyl]-N-(3-morpholin-4-ylpropyl)cyclopentanecarboxamide
CID 42701433

Frequently Asked Questions

What is the IUPAC name of N-[2-[[(3-amino-2,2-dimethylpropyl)-(cyclohexanecarbonyl)amino]methyl]phenyl]morpholine-4-carboxamide?
The IUPAC name of N-[2-[[(3-amino-2,2-dimethylpropyl)-(cyclohexanecarbonyl)amino]methyl]phenyl]morpholine-4-carboxamide (CID 23766051) is N-[2-[[(3-amino-2,2-dimethylpropyl)-(cyclohexanecarbonyl)amino]methyl]phenyl]morpholine-4-carboxamide.
What is the SMILES notation for N-[2-[[(3-amino-2,2-dimethylpropyl)-(cyclohexanecarbonyl)amino]methyl]phenyl]morpholine-4-carboxamide?
The canonical SMILES for N-[2-[[(3-amino-2,2-dimethylpropyl)-(cyclohexanecarbonyl)amino]methyl]phenyl]morpholine-4-carboxamide is CC(C)(CN)CN(Cc1ccccc1NC(=O)N1CCOCC1)C(=O)C1CCCCC1.
What is the InChIKey of N-[2-[[(3-amino-2,2-dimethylpropyl)-(cyclohexanecarbonyl)amino]methyl]phenyl]morpholine-4-carboxamide?
The InChIKey is SMTDWYDZEFRGIN-UHFFFAOYSA-N. The full InChI is InChI=1S/C24H38N4O3/c1-24(2,17-25)18-28(22(29)19-8-4-3-5-9-19)16-20-10-6-7-11-21(20)26-23(30)27-12-14-31-15-13-27/h6-7,10-11,19H,3-5,8-9,12-18,25H2,1-2H3,(H,26,30).
What are the key properties of N-[2-[[(3-amino-2,2-dimethylpropyl)-(cyclohexanecarbonyl)amino]methyl]phenyl]morpholine-4-carboxamide?
N-[2-[[(3-amino-2,2-dimethylpropyl)-(cyclohexanecarbonyl)amino]methyl]phenyl]morpholine-4-carboxamide has a molecular weight of 430.59 g/mol, XLogP of 3.44, 7 rotatable bonds, 2 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for N-[2-[[(3-amino-2,2-dimethylpropyl)-(cyclohexanecarbonyl)amino]methyl]phenyl]morpholine-4-carboxamide is sourced from PubChem (CID 23766051), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).