N-[2-(2-methylhepta-2,4,6-trien-3-yl)benzo[g]indol-1-yl]-2-phenylacetamide

C28H26N2O — CID 140733491

IUPACN-[2-(2-methylhepta-2,4,6-trien-3-yl)benzo[g]indol-1-yl]-2-phenylacetamide
SMILESC=CC=CC(=C(C)C)c1cc2ccc3ccccc3c2n1NC(=O)Cc1ccccc1
InChIInChI=1S/C28H26N2O/c1-4-5-14-24(20(2)3)26-19-23-17-16-22-13-9-10-15-25(22)28(23)30(26)29-27(31)18-21-11-7-6-8-12-21/h4-17,19H,1,18H2,2-3H3,(H,29,31)
InChIKeyFEGYUUNIYSWLSM-UHFFFAOYSA-N
MW406.53 g/mol
LogP6.64
Rot. Bonds6

About N-[2-(2-methylhepta-2,4,6-trien-3-yl)benzo[g]indol-1-yl]-2-phenylacetamide

N-[2-(2-methylhepta-2,4,6-trien-3-yl)benzo[g]indol-1-yl]-2-phenylacetamide (PubChem CID 140733491) has the molecular formula C28H26N2O and a molecular weight of 406.53 g/mol. Its IUPAC name is N-[2-(2-methylhepta-2,4,6-trien-3-yl)benzo[g]indol-1-yl]-2-phenylacetamide.

Molecular Properties

Compound NameN-[2-(2-methylhepta-2,4,6-trien-3-yl)benzo[g]indol-1-yl]-2-phenylacetamide
PubChem CID140733491
Molecular FormulaC28H26N2O
Molecular Weight406.53 g/mol
Exact Mass406.20
IUPAC NameN-[2-(2-methylhepta-2,4,6-trien-3-yl)benzo[g]indol-1-yl]-2-phenylacetamide
SMILESC=CC=CC(=C(C)C)c1cc2ccc3ccccc3c2n1NC(=O)Cc1ccccc1
InChIInChI=1S/C28H26N2O/c1-4-5-14-24(20(2)3)26-19-23-17-16-22-13-9-10-15-25(22)28(23)30(26)29-27(31)18-21-11-7-6-8-12-21/h4-17,19H,1,18H2,2-3H3,(H,29,31)
InChIKeyFEGYUUNIYSWLSM-UHFFFAOYSA-N
XLogP6.64
TPSA34.03 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds6
Heavy Atoms31
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500406.53
LogP ≤ 56.64
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 102

Computed Properties (RDKit)

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

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Related Compounds

butane-1-sulfonate;N-[2-(2-methylhepta-2,4,6-trien-3-yl)-1H-benzo[g]indol-1-ium-1-yl]-2-phenylacetamide
CID 140733490
N-(3-acetyl-4-hydroxy-6-methyl-2-oxo-1-pyridinyl)-2-phenylacetamide
CID 54693415
(2E,4Z)-3-benzylhepta-2,4,6-triene-2-thiol
CID 144560586
N-[2-(2-methylpropyl)-4-oxoquinazolin-3-yl]-2-phenylacetamide
CID 70838498
(3Z,5Z)-5-methylhepta-1,3,5-triene;N-methyl-1-phenylmethanamine
CID 143842568
N-[2-ethenylsulfanyl-4-oxo-8-(trifluoromethyl)quinazolin-3-yl]-2-phenylacetamide
CID 89053407
3-methyl-4-phenylbut-2-enoic acid
CID 22414
(E)-3-methyl-4-phenylbut-2-enoic acid
CID 6369541
N-(4-ethyl-1,3-dioxopyrrolo[3,4-c]quinolin-2-yl)-2-phenylacetamide
CID 6735760
N-[2-[2-(benzylamino)-2-oxoethyl]-4-oxoquinazolin-3-yl]-2-phenylacetamide
CID 10025480
phenanthrene;prop-2-enoic acid
CID 88600118
azane;ethylbenzene;(3Z)-7-methyl-5-methylideneocta-1,3,7-triene
CID 162357982

Frequently Asked Questions

What is the IUPAC name of N-[2-(2-methylhepta-2,4,6-trien-3-yl)benzo[g]indol-1-yl]-2-phenylacetamide?
The IUPAC name of N-[2-(2-methylhepta-2,4,6-trien-3-yl)benzo[g]indol-1-yl]-2-phenylacetamide (CID 140733491) is N-[2-(2-methylhepta-2,4,6-trien-3-yl)benzo[g]indol-1-yl]-2-phenylacetamide.
What is the SMILES notation for N-[2-(2-methylhepta-2,4,6-trien-3-yl)benzo[g]indol-1-yl]-2-phenylacetamide?
The canonical SMILES for N-[2-(2-methylhepta-2,4,6-trien-3-yl)benzo[g]indol-1-yl]-2-phenylacetamide is C=CC=CC(=C(C)C)c1cc2ccc3ccccc3c2n1NC(=O)Cc1ccccc1.
What is the InChIKey of N-[2-(2-methylhepta-2,4,6-trien-3-yl)benzo[g]indol-1-yl]-2-phenylacetamide?
The InChIKey is FEGYUUNIYSWLSM-UHFFFAOYSA-N. The full InChI is InChI=1S/C28H26N2O/c1-4-5-14-24(20(2)3)26-19-23-17-16-22-13-9-10-15-25(22)28(23)30(26)29-27(31)18-21-11-7-6-8-12-21/h4-17,19H,1,18H2,2-3H3,(H,29,31).
What are the key properties of N-[2-(2-methylhepta-2,4,6-trien-3-yl)benzo[g]indol-1-yl]-2-phenylacetamide?
N-[2-(2-methylhepta-2,4,6-trien-3-yl)benzo[g]indol-1-yl]-2-phenylacetamide has a molecular weight of 406.53 g/mol, XLogP of 6.64, 6 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for N-[2-(2-methylhepta-2,4,6-trien-3-yl)benzo[g]indol-1-yl]-2-phenylacetamide is sourced from PubChem (CID 140733491), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).