1-amino-N-[4-(2,3-dihydroindol-1-yl)-4-oxobutyl]cyclohexane-1-carboxamide

C19H27N3O2 — CID 119323918

IUPAC1-amino-N-[4-(2,3-dihydroindol-1-yl)-4-oxobutyl]cyclohexane-1-carboxamide
SMILESNC1(C(=O)NCCCC(=O)N2CCc3ccccc32)CCCCC1
InChIInChI=1S/C19H27N3O2/c20-19(11-4-1-5-12-19)18(24)21-13-6-9-17(23)22-14-10-15-7-2-3-8-16(15)22/h2-3,7-8H,1,4-6,9-14,20H2,(H,21,24)
InChIKeyWNZSQWCIKVXREG-UHFFFAOYSA-N
MW329.44 g/mol
LogP2.13
Rot. Bonds5

About 1-amino-N-[4-(2,3-dihydroindol-1-yl)-4-oxobutyl]cyclohexane-1-carboxamide

1-amino-N-[4-(2,3-dihydroindol-1-yl)-4-oxobutyl]cyclohexane-1-carboxamide (PubChem CID 119323918) has the molecular formula C19H27N3O2 and a molecular weight of 329.44 g/mol. Its IUPAC name is 1-amino-N-[4-(2,3-dihydroindol-1-yl)-4-oxobutyl]cyclohexane-1-carboxamide.

Molecular Properties

Compound Name1-amino-N-[4-(2,3-dihydroindol-1-yl)-4-oxobutyl]cyclohexane-1-carboxamide
PubChem CID119323918
Molecular FormulaC19H27N3O2
Molecular Weight329.44 g/mol
Exact Mass329.21
IUPAC Name1-amino-N-[4-(2,3-dihydroindol-1-yl)-4-oxobutyl]cyclohexane-1-carboxamide
SMILESNC1(C(=O)NCCCC(=O)N2CCc3ccccc32)CCCCC1
InChIInChI=1S/C19H27N3O2/c20-19(11-4-1-5-12-19)18(24)21-13-6-9-17(23)22-14-10-15-7-2-3-8-16(15)22/h2-3,7-8H,1,4-6,9-14,20H2,(H,21,24)
InChIKeyWNZSQWCIKVXREG-UHFFFAOYSA-N
XLogP2.13
TPSA75.43 Ų
H-Bond Donors2
H-Bond Acceptors3
Rotatable Bonds5
Heavy Atoms24
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500329.44
LogP ≤ 52.13
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 103

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'Aliphatic_long_chain', 'substructure': 'N/A'}

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Related Compounds

1-amino-N-[3-(2,3-dihydroindol-1-yl)propyl]cyclohexane-1-carboxamide;dihydrochloride
CID 119851215
N-[4-(2,3-dihydroindol-1-yl)-4-oxobutyl]acetamide
CID 47109240
1,6-bis(2,3-dihydroindol-1-yl)hexane-1,6-dione
CID 3096475
1,4-bis(2,3-dihydroindol-1-yl)butane-1,4-dione
CID 741114
1-[4-(2,3-dihydroindol-1-yl)-4-oxobutyl]-2-methyl-3-propan-2-ylguanidine
CID 111827403
3-amino-N-[4-(2,3-dihydroindol-1-yl)-4-oxobutyl]-2-methyl-3-phenylpropanamide
CID 119784082
1-[6-(2,3-dihydroindol-1-yl)-6-oxohexyl]-3-octadecylurea
CID 23574254
6-(2,3-dihydroindol-1-yl)-6-oxohexanoic acid
CID 22906002
1-[4-(2,3-dihydroindol-1-yl)-4-oxobutyl]-2-methyl-3-propylguanidine;hydroiodide
CID 111560381
1-amino-N-[2-(3,4-dihydro-1H-isoquinolin-2-yl)ethyl]cyclopentane-1-carboxamide;dihydrochloride
CID 119850099
1,9-bis(3,4-dihydro-2H-quinolin-1-yl)nonane-1,9-dione
CID 5158868
4-amino-1-(2,3,4,5-tetrahydro-1-benzazepin-1-yl)butan-1-one;hydrochloride
CID 119294298

Frequently Asked Questions

What is the IUPAC name of 1-amino-N-[4-(2,3-dihydroindol-1-yl)-4-oxobutyl]cyclohexane-1-carboxamide?
The IUPAC name of 1-amino-N-[4-(2,3-dihydroindol-1-yl)-4-oxobutyl]cyclohexane-1-carboxamide (CID 119323918) is 1-amino-N-[4-(2,3-dihydroindol-1-yl)-4-oxobutyl]cyclohexane-1-carboxamide.
What is the SMILES notation for 1-amino-N-[4-(2,3-dihydroindol-1-yl)-4-oxobutyl]cyclohexane-1-carboxamide?
The canonical SMILES for 1-amino-N-[4-(2,3-dihydroindol-1-yl)-4-oxobutyl]cyclohexane-1-carboxamide is NC1(C(=O)NCCCC(=O)N2CCc3ccccc32)CCCCC1.
What is the InChIKey of 1-amino-N-[4-(2,3-dihydroindol-1-yl)-4-oxobutyl]cyclohexane-1-carboxamide?
The InChIKey is WNZSQWCIKVXREG-UHFFFAOYSA-N. The full InChI is InChI=1S/C19H27N3O2/c20-19(11-4-1-5-12-19)18(24)21-13-6-9-17(23)22-14-10-15-7-2-3-8-16(15)22/h2-3,7-8H,1,4-6,9-14,20H2,(H,21,24).
What are the key properties of 1-amino-N-[4-(2,3-dihydroindol-1-yl)-4-oxobutyl]cyclohexane-1-carboxamide?
1-amino-N-[4-(2,3-dihydroindol-1-yl)-4-oxobutyl]cyclohexane-1-carboxamide has a molecular weight of 329.44 g/mol, XLogP of 2.13, 5 rotatable bonds, 2 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 1-amino-N-[4-(2,3-dihydroindol-1-yl)-4-oxobutyl]cyclohexane-1-carboxamide is sourced from PubChem (CID 119323918), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).