N-[2-hydroxy-3-(2-methylpropoxy)propyl]-2,3-dimethyl-1H-indole-7-carboxamide

C18H26N2O3 — CID 111697659

IUPACN-[2-hydroxy-3-(2-methylpropoxy)propyl]-2,3-dimethyl-1H-indole-7-carboxamide
SMILESCc1[nH]c2c(C(=O)NCC(O)COCC(C)C)cccc2c1C
InChIInChI=1S/C18H26N2O3/c1-11(2)9-23-10-14(21)8-19-18(22)16-7-5-6-15-12(3)13(4)20-17(15)16/h5-7,11,14,20-21H,8-10H2,1-4H3,(H,19,22)
InChIKeyHXLFQKSZVWWODC-UHFFFAOYSA-N
MW318.42 g/mol
LogP2.55
Rot. Bonds7

About N-[2-hydroxy-3-(2-methylpropoxy)propyl]-2,3-dimethyl-1H-indole-7-carboxamide

N-[2-hydroxy-3-(2-methylpropoxy)propyl]-2,3-dimethyl-1H-indole-7-carboxamide (PubChem CID 111697659) has the molecular formula C18H26N2O3 and a molecular weight of 318.42 g/mol. Its IUPAC name is N-[2-hydroxy-3-(2-methylpropoxy)propyl]-2,3-dimethyl-1H-indole-7-carboxamide.

Molecular Properties

Compound NameN-[2-hydroxy-3-(2-methylpropoxy)propyl]-2,3-dimethyl-1H-indole-7-carboxamide
PubChem CID111697659
Molecular FormulaC18H26N2O3
Molecular Weight318.42 g/mol
Exact Mass318.19
IUPAC NameN-[2-hydroxy-3-(2-methylpropoxy)propyl]-2,3-dimethyl-1H-indole-7-carboxamide
SMILESCc1[nH]c2c(C(=O)NCC(O)COCC(C)C)cccc2c1C
InChIInChI=1S/C18H26N2O3/c1-11(2)9-23-10-14(21)8-19-18(22)16-7-5-6-15-12(3)13(4)20-17(15)16/h5-7,11,14,20-21H,8-10H2,1-4H3,(H,19,22)
InChIKeyHXLFQKSZVWWODC-UHFFFAOYSA-N
XLogP2.55
TPSA74.35 Ų
H-Bond Donors3
H-Bond Acceptors3
Rotatable Bonds7
Heavy Atoms23
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500318.42
LogP ≤ 52.55
H-Bond Donors ≤ 53
H-Bond Acceptors ≤ 103

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'indol_3yl_alk(461)', 'substructure': 'N/A'}

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Related Compounds

N-[2-(2,6-difluorophenyl)-2-hydroxyethyl]-2,3-dimethyl-1H-indole-7-carboxamide
CID 111451352
N-(3-hydroxy-3-phenylpropyl)-2,3-dimethyl-1H-indole-7-carboxamide
CID 111471562
N-(3-butoxypropyl)-2,3-dimethyl-1H-indole-7-carboxamide
CID 30853286
N-[2-hydroxy-3-(2-methylpropoxy)propyl]quinoline-4-carboxamide
CID 111697647
2,3-dimethyl-N-[(2-methylpyrazol-3-yl)methyl]-1H-indole-7-carboxamide
CID 86979107
1-[(2,3-dimethyl-1H-indole-7-carbonyl)amino]-3-methylurea
CID 47383567
N-[2-(benzenesulfonamido)ethyl]-2,3-dimethyl-1H-indole-7-carboxamide
CID 78852520
2,3-dimethyl-N-[(2S)-1-thiophen-2-ylpropan-2-yl]-1H-indole-7-carboxamide
CID 42461714
N-[2-hydroxy-3-(2-methylpropoxy)propyl]thiophene-3-carboxamide
CID 111662690
N-cyclopropyl-2,3-dimethyl-N-[[3-(2-methylpropoxy)phenyl]methyl]-1H-indole-7-carboxamide
CID 42471181
N-[2-hydroxy-3-(2-methylpropoxy)propyl]-3-pyrazol-1-ylbenzamide
CID 111697672
N-[2-hydroxy-3-(2-methylpropoxy)propyl]-2-(1-methylindol-3-yl)acetamide
CID 111662753

Frequently Asked Questions

What is the IUPAC name of N-[2-hydroxy-3-(2-methylpropoxy)propyl]-2,3-dimethyl-1H-indole-7-carboxamide?
The IUPAC name of N-[2-hydroxy-3-(2-methylpropoxy)propyl]-2,3-dimethyl-1H-indole-7-carboxamide (CID 111697659) is N-[2-hydroxy-3-(2-methylpropoxy)propyl]-2,3-dimethyl-1H-indole-7-carboxamide.
What is the SMILES notation for N-[2-hydroxy-3-(2-methylpropoxy)propyl]-2,3-dimethyl-1H-indole-7-carboxamide?
The canonical SMILES for N-[2-hydroxy-3-(2-methylpropoxy)propyl]-2,3-dimethyl-1H-indole-7-carboxamide is Cc1[nH]c2c(C(=O)NCC(O)COCC(C)C)cccc2c1C.
What is the InChIKey of N-[2-hydroxy-3-(2-methylpropoxy)propyl]-2,3-dimethyl-1H-indole-7-carboxamide?
The InChIKey is HXLFQKSZVWWODC-UHFFFAOYSA-N. The full InChI is InChI=1S/C18H26N2O3/c1-11(2)9-23-10-14(21)8-19-18(22)16-7-5-6-15-12(3)13(4)20-17(15)16/h5-7,11,14,20-21H,8-10H2,1-4H3,(H,19,22).
What are the key properties of N-[2-hydroxy-3-(2-methylpropoxy)propyl]-2,3-dimethyl-1H-indole-7-carboxamide?
N-[2-hydroxy-3-(2-methylpropoxy)propyl]-2,3-dimethyl-1H-indole-7-carboxamide has a molecular weight of 318.42 g/mol, XLogP of 2.55, 7 rotatable bonds, 3 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for N-[2-hydroxy-3-(2-methylpropoxy)propyl]-2,3-dimethyl-1H-indole-7-carboxamide is sourced from PubChem (CID 111697659), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).