4-methoxy-2-methyl-N-[1-[[(4Z,6Z)-3-methylideneocta-4,6-dienyl]amino]-1-oxo-3-phenylmethoxypropan-2-yl]benzamide

C28H34N2O4 — CID 144765878

IUPAC4-methoxy-2-methyl-N-[1-[[(4Z,6Z)-3-methylideneocta-4,6-dienyl]amino]-1-oxo-3-phenylmethoxypropan-2-yl]benzamide
SMILESC=C(/C=C\C=C/C)CCNC(=O)C(COCc1ccccc1)NC(=O)c1ccc(OC)cc1C
InChIInChI=1S/C28H34N2O4/c1-5-6-8-11-21(2)16-17-29-28(32)26(20-34-19-23-12-9-7-10-13-23)30-27(31)25-15-14-24(33-4)18-22(25)3/h5-15,18,26H,2,16-17,19-20H2,1,3-4H3,(H,29,32)(H,30,31)/b6-5-,11-8-
InChIKeyIPACMLOGUAVXNB-VRULOHATSA-N
MW462.59 g/mol
LogP4.51
Rot. Bonds13

About 4-methoxy-2-methyl-N-[1-[[(4Z,6Z)-3-methylideneocta-4,6-dienyl]amino]-1-oxo-3-phenylmethoxypropan-2-yl]benzamide

4-methoxy-2-methyl-N-[1-[[(4Z,6Z)-3-methylideneocta-4,6-dienyl]amino]-1-oxo-3-phenylmethoxypropan-2-yl]benzamide (PubChem CID 144765878) has the molecular formula C28H34N2O4 and a molecular weight of 462.59 g/mol. Its IUPAC name is 4-methoxy-2-methyl-N-[1-[[(4Z,6Z)-3-methylideneocta-4,6-dienyl]amino]-1-oxo-3-phenylmethoxypropan-2-yl]benzamide.

Molecular Properties

Compound Name4-methoxy-2-methyl-N-[1-[[(4Z,6Z)-3-methylideneocta-4,6-dienyl]amino]-1-oxo-3-phenylmethoxypropan-2-yl]benzamide
PubChem CID144765878
Molecular FormulaC28H34N2O4
Molecular Weight462.59 g/mol
Exact Mass462.25
IUPAC Name4-methoxy-2-methyl-N-[1-[[(4Z,6Z)-3-methylideneocta-4,6-dienyl]amino]-1-oxo-3-phenylmethoxypropan-2-yl]benzamide
SMILESC=C(/C=C\C=C/C)CCNC(=O)C(COCc1ccccc1)NC(=O)c1ccc(OC)cc1C
InChIInChI=1S/C28H34N2O4/c1-5-6-8-11-21(2)16-17-29-28(32)26(20-34-19-23-12-9-7-10-13-23)30-27(31)25-15-14-24(33-4)18-22(25)3/h5-15,18,26H,2,16-17,19-20H2,1,3-4H3,(H,29,32)(H,30,31)/b6-5-,11-8-
InChIKeyIPACMLOGUAVXNB-VRULOHATSA-N
XLogP4.51
TPSA76.66 Ų
H-Bond Donors2
H-Bond Acceptors4
Rotatable Bonds13
Heavy Atoms34
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500462.59
LogP ≤ 54.51
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 104

Computed Properties (RDKit)

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

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Related Compounds

methyl (2S)-2-[[2-[(2,4-dimethoxybenzoyl)amino]acetyl]amino]-3-phenylmethoxypropanoate
CID 155775583
4-methoxy-2-[(4-methoxy-2-methylbenzoyl)amino]butanoic acid
CID 120703108
3-(5-methoxy-2-methylphenyl)-4-methyl-N-[1-oxo-1-(4-phenoxyanilino)-3-phenylmethoxypropan-2-yl]pent-3-enamide
CID 70897089
4-methoxy-3-methyl-N-[(2R)-1-oxo-3-phenylmethoxy-1-(2-pyridin-2-ylethylamino)propan-2-yl]benzamide
CID 144765894
N-[(2S)-1-oxo-1-[[3-oxo-3-[4-[3-[[(2S)-3-phenylmethoxy-2-(pyridine-2-carbonylamino)propanoyl]amino]propanoylamino]anilino]propyl]amino]-3-phenylmethoxypropan-2-yl]pyridine-2-carboxamide
CID 101014066
2-chloro-N-[1-oxo-1-(4-phenoxyanilino)-3-phenylmethoxypropan-2-yl]benzamide
CID 67010505
2-acetamido-3-[(3-methoxyphenyl)methoxy]propanoic acid
CID 65443170
methyl (2S)-2-benzamido-3-phenylmethoxypropanoate
CID 10870709
N-(2-aminoethyl)-4-methoxy-2-methylbenzamide;hydrochloride
CID 119384390
5-[(4-methoxy-2-methylbenzoyl)amino]pentanoic acid
CID 119234134
ethyl 2-[[(3S)-3-[[(2R)-3-cyclohexyl-2-[(5-methoxy-2-nitrobenzoyl)amino]propanoyl]amino]-2-oxo-4-phenylmethoxybutanoyl]amino]acetate
CID 53240679
[2-methyl-6-[[3-oxo-4-(4-phenoxyphenyl)-1-phenylmethoxybutan-2-yl]carbamoyl]phenyl]-oxoazanium
CID 58523072

Frequently Asked Questions

What is the IUPAC name of 4-methoxy-2-methyl-N-[1-[[(4Z,6Z)-3-methylideneocta-4,6-dienyl]amino]-1-oxo-3-phenylmethoxypropan-2-yl]benzamide?
The IUPAC name of 4-methoxy-2-methyl-N-[1-[[(4Z,6Z)-3-methylideneocta-4,6-dienyl]amino]-1-oxo-3-phenylmethoxypropan-2-yl]benzamide (CID 144765878) is 4-methoxy-2-methyl-N-[1-[[(4Z,6Z)-3-methylideneocta-4,6-dienyl]amino]-1-oxo-3-phenylmethoxypropan-2-yl]benzamide.
What is the SMILES notation for 4-methoxy-2-methyl-N-[1-[[(4Z,6Z)-3-methylideneocta-4,6-dienyl]amino]-1-oxo-3-phenylmethoxypropan-2-yl]benzamide?
The canonical SMILES for 4-methoxy-2-methyl-N-[1-[[(4Z,6Z)-3-methylideneocta-4,6-dienyl]amino]-1-oxo-3-phenylmethoxypropan-2-yl]benzamide is C=C(/C=C\C=C/C)CCNC(=O)C(COCc1ccccc1)NC(=O)c1ccc(OC)cc1C.
What is the InChIKey of 4-methoxy-2-methyl-N-[1-[[(4Z,6Z)-3-methylideneocta-4,6-dienyl]amino]-1-oxo-3-phenylmethoxypropan-2-yl]benzamide?
The InChIKey is IPACMLOGUAVXNB-VRULOHATSA-N. The full InChI is InChI=1S/C28H34N2O4/c1-5-6-8-11-21(2)16-17-29-28(32)26(20-34-19-23-12-9-7-10-13-23)30-27(31)25-15-14-24(33-4)18-22(25)3/h5-15,18,26H,2,16-17,19-20H2,1,3-4H3,(H,29,32)(H,30,31)/b6-5-,11-8-.
What are the key properties of 4-methoxy-2-methyl-N-[1-[[(4Z,6Z)-3-methylideneocta-4,6-dienyl]amino]-1-oxo-3-phenylmethoxypropan-2-yl]benzamide?
4-methoxy-2-methyl-N-[1-[[(4Z,6Z)-3-methylideneocta-4,6-dienyl]amino]-1-oxo-3-phenylmethoxypropan-2-yl]benzamide has a molecular weight of 462.59 g/mol, XLogP of 4.51, 13 rotatable bonds, 2 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 4-methoxy-2-methyl-N-[1-[[(4Z,6Z)-3-methylideneocta-4,6-dienyl]amino]-1-oxo-3-phenylmethoxypropan-2-yl]benzamide is sourced from PubChem (CID 144765878), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).