N-[3-[(2-amino-2-oxoethyl)carbamoyl]phenyl]-2,3,3a,4,5,6,7,7a-octahydro-1H-indole-2-carboxamide;hydrochloride

C18H25ClN4O3 — CID 119284421

IUPACN-[3-[(2-amino-2-oxoethyl)carbamoyl]phenyl]-2,3,3a,4,5,6,7,7a-octahydro-1H-indole-2-carboxamide;hydrochloride
SMILESCl.NC(=O)CNC(=O)c1cccc(NC(=O)C2CC3CCCCC3N2)c1
InChIInChI=1S/C18H24N4O3.ClH/c19-16(23)10-20-17(24)12-5-3-6-13(8-12)21-18(25)15-9-11-4-1-2-7-14(11)22-15;/h3,5-6,8,11,14-15,22H,1-2,4,7,9-10H2,(H2,19,23)(H,20,24)(H,21,25);1H
InChIKeyCPJAMEYNTBAPCG-UHFFFAOYSA-N
MW380.88 g/mol
LogP1.18
Rot. Bonds5

About N-[3-[(2-amino-2-oxoethyl)carbamoyl]phenyl]-2,3,3a,4,5,6,7,7a-octahydro-1H-indole-2-carboxamide;hydrochloride

N-[3-[(2-amino-2-oxoethyl)carbamoyl]phenyl]-2,3,3a,4,5,6,7,7a-octahydro-1H-indole-2-carboxamide;hydrochloride (PubChem CID 119284421) has the molecular formula C18H25ClN4O3 and a molecular weight of 380.88 g/mol. Its IUPAC name is N-[3-[(2-amino-2-oxoethyl)carbamoyl]phenyl]-2,3,3a,4,5,6,7,7a-octahydro-1H-indole-2-carboxamide;hydrochloride.

Molecular Properties

Compound NameN-[3-[(2-amino-2-oxoethyl)carbamoyl]phenyl]-2,3,3a,4,5,6,7,7a-octahydro-1H-indole-2-carboxamide;hydrochloride
PubChem CID119284421
Molecular FormulaC18H25ClN4O3
Molecular Weight380.88 g/mol
Exact Mass380.16
IUPAC NameN-[3-[(2-amino-2-oxoethyl)carbamoyl]phenyl]-2,3,3a,4,5,6,7,7a-octahydro-1H-indole-2-carboxamide;hydrochloride
SMILESCl.NC(=O)CNC(=O)c1cccc(NC(=O)C2CC3CCCCC3N2)c1
InChIInChI=1S/C18H24N4O3.ClH/c19-16(23)10-20-17(24)12-5-3-6-13(8-12)21-18(25)15-9-11-4-1-2-7-14(11)22-15;/h3,5-6,8,11,14-15,22H,1-2,4,7,9-10H2,(H2,19,23)(H,20,24)(H,21,25);1H
InChIKeyCPJAMEYNTBAPCG-UHFFFAOYSA-N
XLogP1.18
TPSA113.32 Ų
H-Bond Donors4
H-Bond Acceptors4
Rotatable Bonds5
Heavy Atoms26
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500380.88
LogP ≤ 51.18
H-Bond Donors ≤ 54
H-Bond Acceptors ≤ 104

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Related Compounds

3-(2,3,3a,4,5,6,7,7a-octahydro-1H-indole-2-carbonylamino)benzoic acid
CID 61157479
N-[3-(3-ethoxypropylcarbamoyl)phenyl]-2,3,3a,4,5,6,7,7a-octahydro-1H-indole-2-carboxamide
CID 119286246
N-[[4-[(2-amino-2-oxoethyl)carbamoyl]phenyl]methyl]-2,3,3a,4,5,6,7,7a-octahydro-1H-indole-2-carboxamide;hydrochloride
CID 119283772
N-(3-methylphenyl)-2,3,3a,4,5,6,7,7a-octahydro-1H-indole-2-carboxamide
CID 24699251
N-[2-(3-fluoroanilino)-2-oxoethyl]-2,3,3a,4,5,6,7,7a-octahydro-1H-indole-2-carboxamide;hydrochloride
CID 119308736
N-[4-(phenylcarbamoyl)phenyl]-2,3,3a,4,5,6,7,7a-octahydro-1H-indole-2-carboxamide
CID 119307798
N-(3-propoxyphenyl)-2,3,3a,4,5,6,7,7a-octahydro-1H-indole-2-carboxamide;hydrochloride
CID 119284767
N-(2-amino-2-oxoethyl)-3-[[(1R,3S)-3-cyclopropylcyclohexyl]amino]benzamide
CID 97157129
N-(3-carbamoyl-4-methylphenyl)-2,3,3a,4,5,6,7,7a-octahydro-1H-indole-2-carboxamide;hydrochloride
CID 119316558
N-(4-carbamoyl-3-methylphenyl)-2,3,3a,4,5,6,7,7a-octahydro-1H-indole-2-carboxamide;hydrochloride
CID 119318631
N-[3-(phenylsulfamoyl)phenyl]-2,3,3a,4,5,6,7,7a-octahydro-1H-indole-2-carboxamide
CID 119283949
N-[3-[(3-amino-3-oxopropyl)carbamoyl]phenyl]piperidine-2-carboxamide;hydrochloride
CID 119318162

Frequently Asked Questions

What is the IUPAC name of N-[3-[(2-amino-2-oxoethyl)carbamoyl]phenyl]-2,3,3a,4,5,6,7,7a-octahydro-1H-indole-2-carboxamide;hydrochloride?
The IUPAC name of N-[3-[(2-amino-2-oxoethyl)carbamoyl]phenyl]-2,3,3a,4,5,6,7,7a-octahydro-1H-indole-2-carboxamide;hydrochloride (CID 119284421) is N-[3-[(2-amino-2-oxoethyl)carbamoyl]phenyl]-2,3,3a,4,5,6,7,7a-octahydro-1H-indole-2-carboxamide;hydrochloride.
What is the SMILES notation for N-[3-[(2-amino-2-oxoethyl)carbamoyl]phenyl]-2,3,3a,4,5,6,7,7a-octahydro-1H-indole-2-carboxamide;hydrochloride?
The canonical SMILES for N-[3-[(2-amino-2-oxoethyl)carbamoyl]phenyl]-2,3,3a,4,5,6,7,7a-octahydro-1H-indole-2-carboxamide;hydrochloride is Cl.NC(=O)CNC(=O)c1cccc(NC(=O)C2CC3CCCCC3N2)c1.
What is the InChIKey of N-[3-[(2-amino-2-oxoethyl)carbamoyl]phenyl]-2,3,3a,4,5,6,7,7a-octahydro-1H-indole-2-carboxamide;hydrochloride?
The InChIKey is CPJAMEYNTBAPCG-UHFFFAOYSA-N. The full InChI is InChI=1S/C18H24N4O3.ClH/c19-16(23)10-20-17(24)12-5-3-6-13(8-12)21-18(25)15-9-11-4-1-2-7-14(11)22-15;/h3,5-6,8,11,14-15,22H,1-2,4,7,9-10H2,(H2,19,23)(H,20,24)(H,21,25);1H.
What are the key properties of N-[3-[(2-amino-2-oxoethyl)carbamoyl]phenyl]-2,3,3a,4,5,6,7,7a-octahydro-1H-indole-2-carboxamide;hydrochloride?
N-[3-[(2-amino-2-oxoethyl)carbamoyl]phenyl]-2,3,3a,4,5,6,7,7a-octahydro-1H-indole-2-carboxamide;hydrochloride has a molecular weight of 380.88 g/mol, XLogP of 1.18, 5 rotatable bonds, 4 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for N-[3-[(2-amino-2-oxoethyl)carbamoyl]phenyl]-2,3,3a,4,5,6,7,7a-octahydro-1H-indole-2-carboxamide;hydrochloride is sourced from PubChem (CID 119284421), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).