N,N-dimethyl-4-(7-nitroindol-1-yl)butanamide

C14H17N3O3 — CID 114936098

IUPACN,N-dimethyl-4-(7-nitroindol-1-yl)butanamide
SMILESCN(C)C(=O)CCCn1ccc2cccc([N+](=O)[O-])c21
InChIInChI=1S/C14H17N3O3/c1-15(2)13(18)7-4-9-16-10-8-11-5-3-6-12(14(11)16)17(19)20/h3,5-6,8,10H,4,7,9H2,1-2H3
InChIKeyBAEJWOJSOCCGFM-UHFFFAOYSA-N
MW275.31 g/mol
LogP2.42
Rot. Bonds5

About N,N-dimethyl-4-(7-nitroindol-1-yl)butanamide

N,N-dimethyl-4-(7-nitroindol-1-yl)butanamide (PubChem CID 114936098) has the molecular formula C14H17N3O3 and a molecular weight of 275.31 g/mol. Its IUPAC name is N,N-dimethyl-4-(7-nitroindol-1-yl)butanamide.

Molecular Properties

Compound NameN,N-dimethyl-4-(7-nitroindol-1-yl)butanamide
PubChem CID114936098
Molecular FormulaC14H17N3O3
Molecular Weight275.31 g/mol
Exact Mass275.13
IUPAC NameN,N-dimethyl-4-(7-nitroindol-1-yl)butanamide
SMILESCN(C)C(=O)CCCn1ccc2cccc([N+](=O)[O-])c21
InChIInChI=1S/C14H17N3O3/c1-15(2)13(18)7-4-9-16-10-8-11-5-3-6-12(14(11)16)17(19)20/h3,5-6,8,10H,4,7,9H2,1-2H3
InChIKeyBAEJWOJSOCCGFM-UHFFFAOYSA-N
XLogP2.42
TPSA68.38 Ų
H-Bond Donors
H-Bond Acceptors4
Rotatable Bonds5
Heavy Atoms20
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500275.31
LogP ≤ 52.42
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 104

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'nitro_group', 'substructure': 'N/A'}, {'alert_name': 'Oxygen-nitrogen_single_bond', 'substructure': 'N/A'}

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Related Compounds

6-(7-nitroindol-1-yl)hexan-1-ol
CID 107707117
ethyl 3-(7-nitroindol-1-yl)propanoate
CID 114935544
1-(3-methylsulfonylpropyl)-7-nitroindole
CID 115874242
1-[3-(2-methoxyethoxy)propyl]-7-nitroindole
CID 103413364
1-but-3-enyl-7-nitroindole
CID 114936238
1-(3,3-diethoxypropyl)-7-nitroindole
CID 114936003
N-cyclopropyl-3-(7-nitroindol-1-yl)propanamide
CID 114936168
1-(2-methylprop-2-enyl)-7-nitroindole
CID 114936103
(Z)-2-methyl-4-(7-nitroindol-1-yl)but-2-enoic acid
CID 114935542
1-[2-(1-methylpyrazol-4-yl)ethyl]-7-nitroindole
CID 103015566
potassium trifluoro-[(7-nitroindol-1-yl)methyl]boranuide
CID 114936019
1-[(3,5-dimethylphenyl)methyl]-7-nitroindole
CID 114936071

Frequently Asked Questions

What is the IUPAC name of N,N-dimethyl-4-(7-nitroindol-1-yl)butanamide?
The IUPAC name of N,N-dimethyl-4-(7-nitroindol-1-yl)butanamide (CID 114936098) is N,N-dimethyl-4-(7-nitroindol-1-yl)butanamide.
What is the SMILES notation for N,N-dimethyl-4-(7-nitroindol-1-yl)butanamide?
The canonical SMILES for N,N-dimethyl-4-(7-nitroindol-1-yl)butanamide is CN(C)C(=O)CCCn1ccc2cccc([N+](=O)[O-])c21.
What is the InChIKey of N,N-dimethyl-4-(7-nitroindol-1-yl)butanamide?
The InChIKey is BAEJWOJSOCCGFM-UHFFFAOYSA-N. The full InChI is InChI=1S/C14H17N3O3/c1-15(2)13(18)7-4-9-16-10-8-11-5-3-6-12(14(11)16)17(19)20/h3,5-6,8,10H,4,7,9H2,1-2H3.
What are the key properties of N,N-dimethyl-4-(7-nitroindol-1-yl)butanamide?
N,N-dimethyl-4-(7-nitroindol-1-yl)butanamide has a molecular weight of 275.31 g/mol, XLogP of 2.42, 5 rotatable bonds, 0 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for N,N-dimethyl-4-(7-nitroindol-1-yl)butanamide is sourced from PubChem (CID 114936098), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).