N-benzyl-N-[(1Z)-1,2-bis(3,4-dimethoxyphenyl)penta-1,4-dienyl]acetamide

C30H33NO5 — CID 11134690

IUPACN-benzyl-N-[(1Z)-1,2-bis(3,4-dimethoxyphenyl)penta-1,4-dienyl]acetamide
SMILESC=CC/C(=C(\c1ccc(OC)c(OC)c1)N(Cc1ccccc1)C(C)=O)c1ccc(OC)c(OC)c1
InChIInChI=1S/C30H33NO5/c1-7-11-25(23-14-16-26(33-3)28(18-23)35-5)30(24-15-17-27(34-4)29(19-24)36-6)31(21(2)32)20-22-12-9-8-10-13-22/h7-10,12-19H,1,11,20H2,2-6H3/b30-25-
InChIKeyVSFQQBKTHGIEMB-JVCXMKTPSA-N
MW487.60 g/mol
LogP6.21
Rot. Bonds11

About N-benzyl-N-[(1Z)-1,2-bis(3,4-dimethoxyphenyl)penta-1,4-dienyl]acetamide

N-benzyl-N-[(1Z)-1,2-bis(3,4-dimethoxyphenyl)penta-1,4-dienyl]acetamide (PubChem CID 11134690) has the molecular formula C30H33NO5 and a molecular weight of 487.60 g/mol. Its IUPAC name is N-benzyl-N-[(1Z)-1,2-bis(3,4-dimethoxyphenyl)penta-1,4-dienyl]acetamide.

Molecular Properties

Compound NameN-benzyl-N-[(1Z)-1,2-bis(3,4-dimethoxyphenyl)penta-1,4-dienyl]acetamide
PubChem CID11134690
Molecular FormulaC30H33NO5
Molecular Weight487.60 g/mol
Exact Mass487.24
IUPAC NameN-benzyl-N-[(1Z)-1,2-bis(3,4-dimethoxyphenyl)penta-1,4-dienyl]acetamide
SMILESC=CC/C(=C(\c1ccc(OC)c(OC)c1)N(Cc1ccccc1)C(C)=O)c1ccc(OC)c(OC)c1
InChIInChI=1S/C30H33NO5/c1-7-11-25(23-14-16-26(33-3)28(18-23)35-5)30(24-15-17-27(34-4)29(19-24)36-6)31(21(2)32)20-22-12-9-8-10-13-22/h7-10,12-19H,1,11,20H2,2-6H3/b30-25-
InChIKeyVSFQQBKTHGIEMB-JVCXMKTPSA-N
XLogP6.21
TPSA57.23 Ų
H-Bond Donors
H-Bond Acceptors5
Rotatable Bonds11
Heavy Atoms36
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500487.60
LogP ≤ 56.21
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 105

Computed Properties (RDKit)

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

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Related Compounds

N-benzyl-N-[1-(3,4,5-trimethoxyphenyl)ethenyl]acetamide
CID 102487068
N-benzyl-3-methoxy-N-methyl-4-prop-2-enoxybenzamide
CID 134016517
N-benzyl-3,4-dimethoxy-N-propan-2-ylbenzamide
CID 807482
N-benzyl-3-methoxy-4-(2-methylpropoxy)-N-prop-2-enylbenzamide
CID 112819847
N-(3-aminopropyl)-N-benzyl-3-methoxy-4-prop-2-enoxybenzamide;hydrochloride
CID 120648431
N,N-dibenzyl-3-ethoxy-4-methoxybenzamide
CID 55334507
[(1Z)-2-chloro-1-(3,4-dimethoxyphenyl)penta-1,4-dienyl] acetate
CID 53467485
3-(3,4-dimethoxyphenyl)-2-(4-ethenylbenzoyl)hexa-2,5-dienenitrile
CID 54368965
3-methoxy-4-(2-phenylethoxy)benzoic acid
CID 18070578
3,4-dimethoxybenzoic acid;methanol
CID 144580050
N,N-dimethylmethanamine;methyl 3-methoxy-4-phenylmethoxybenzoate
CID 145103744
N-[(1S)-1-(benzylamino)-2,2,2-trichloroethyl]-3,4-dimethoxybenzamide
CID 1350071

Frequently Asked Questions

What is the IUPAC name of N-benzyl-N-[(1Z)-1,2-bis(3,4-dimethoxyphenyl)penta-1,4-dienyl]acetamide?
The IUPAC name of N-benzyl-N-[(1Z)-1,2-bis(3,4-dimethoxyphenyl)penta-1,4-dienyl]acetamide (CID 11134690) is N-benzyl-N-[(1Z)-1,2-bis(3,4-dimethoxyphenyl)penta-1,4-dienyl]acetamide.
What is the SMILES notation for N-benzyl-N-[(1Z)-1,2-bis(3,4-dimethoxyphenyl)penta-1,4-dienyl]acetamide?
The canonical SMILES for N-benzyl-N-[(1Z)-1,2-bis(3,4-dimethoxyphenyl)penta-1,4-dienyl]acetamide is C=CC/C(=C(\c1ccc(OC)c(OC)c1)N(Cc1ccccc1)C(C)=O)c1ccc(OC)c(OC)c1.
What is the InChIKey of N-benzyl-N-[(1Z)-1,2-bis(3,4-dimethoxyphenyl)penta-1,4-dienyl]acetamide?
The InChIKey is VSFQQBKTHGIEMB-JVCXMKTPSA-N. The full InChI is InChI=1S/C30H33NO5/c1-7-11-25(23-14-16-26(33-3)28(18-23)35-5)30(24-15-17-27(34-4)29(19-24)36-6)31(21(2)32)20-22-12-9-8-10-13-22/h7-10,12-19H,1,11,20H2,2-6H3/b30-25-.
What are the key properties of N-benzyl-N-[(1Z)-1,2-bis(3,4-dimethoxyphenyl)penta-1,4-dienyl]acetamide?
N-benzyl-N-[(1Z)-1,2-bis(3,4-dimethoxyphenyl)penta-1,4-dienyl]acetamide has a molecular weight of 487.60 g/mol, XLogP of 6.21, 11 rotatable bonds, 0 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for N-benzyl-N-[(1Z)-1,2-bis(3,4-dimethoxyphenyl)penta-1,4-dienyl]acetamide is sourced from PubChem (CID 11134690), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).