(2E)-N-cyclopentyl-2-[[4-[4-(cyclopentylamino)phenyl]-2,5-dimethoxy-3,6-dimethylphenyl]methylidene]butanamide

C31H42N2O3 — CID 59031195

IUPAC(2E)-N-cyclopentyl-2-[[4-[4-(cyclopentylamino)phenyl]-2,5-dimethoxy-3,6-dimethylphenyl]methylidene]butanamide
SMILESCC/C(=C\c1c(C)c(OC)c(-c2ccc(NC3CCCC3)cc2)c(C)c1OC)C(=O)NC1CCCC1
InChIInChI=1S/C31H42N2O3/c1-6-22(31(34)33-25-13-9-10-14-25)19-27-20(2)30(36-5)28(21(3)29(27)35-4)23-15-17-26(18-16-23)32-24-11-7-8-12-24/h15-19,24-25,32H,6-14H2,1-5H3,(H,33,34)/b22-19+
InChIKeyUWDPUGXJYFPMDP-ZBJSNUHESA-N
MW490.69 g/mol
LogP7.19
Rot. Bonds9

About (2E)-N-cyclopentyl-2-[[4-[4-(cyclopentylamino)phenyl]-2,5-dimethoxy-3,6-dimethylphenyl]methylidene]butanamide

(2E)-N-cyclopentyl-2-[[4-[4-(cyclopentylamino)phenyl]-2,5-dimethoxy-3,6-dimethylphenyl]methylidene]butanamide (PubChem CID 59031195) has the molecular formula C31H42N2O3 and a molecular weight of 490.69 g/mol. Its IUPAC name is (2E)-N-cyclopentyl-2-[[4-[4-(cyclopentylamino)phenyl]-2,5-dimethoxy-3,6-dimethylphenyl]methylidene]butanamide.

Molecular Properties

Compound Name(2E)-N-cyclopentyl-2-[[4-[4-(cyclopentylamino)phenyl]-2,5-dimethoxy-3,6-dimethylphenyl]methylidene]butanamide
PubChem CID59031195
Molecular FormulaC31H42N2O3
Molecular Weight490.69 g/mol
Exact Mass490.32
IUPAC Name(2E)-N-cyclopentyl-2-[[4-[4-(cyclopentylamino)phenyl]-2,5-dimethoxy-3,6-dimethylphenyl]methylidene]butanamide
SMILESCC/C(=C\c1c(C)c(OC)c(-c2ccc(NC3CCCC3)cc2)c(C)c1OC)C(=O)NC1CCCC1
InChIInChI=1S/C31H42N2O3/c1-6-22(31(34)33-25-13-9-10-14-25)19-27-20(2)30(36-5)28(21(3)29(27)35-4)23-15-17-26(18-16-23)32-24-11-7-8-12-24/h15-19,24-25,32H,6-14H2,1-5H3,(H,33,34)/b22-19+
InChIKeyUWDPUGXJYFPMDP-ZBJSNUHESA-N
XLogP7.19
TPSA59.59 Ų
H-Bond Donors2
H-Bond Acceptors4
Rotatable Bonds9
Heavy Atoms36
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500490.69
LogP ≤ 57.19
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 104

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'Michael_acceptor_1', 'substructure': 'N/A'}

Analyze (2E)-N-cyclopentyl-2-[[4-[4-(cyclopentylamino)phenyl]-2,5-dimethoxy-3,6-dimethylphenyl]methylidene]butanamide with MolForge

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Related Compounds

(Z)-3-[4-[4-(cyclohexylamino)phenyl]-2,5-dimethoxy-3,6-dimethylphenyl]-2-fluoroprop-2-enoic acid
CID 59031531
(2E)-2-[[4-[4-(cyclopentylamino)phenyl]-2,5-difluoro-3,6-dimethylphenyl]methylidene]butanoic acid
CID 59031333
(2E)-2-[[4-[4-(cyclopentylamino)phenyl]-2,5-dimethylphenyl]methylidene]-N-methylsulfonylbutanamide
CID 59031358
(E)-N-cyclopentyl-2-methyl-3-[2,3,5,6-tetramethyl-4-[4-(propan-2-ylamino)phenyl]phenyl]prop-2-enamide
CID 59031500
N-[4-(cyclohexylamino)phenyl]propanamide
CID 43720651
N-cycloheptyl-N'-(4-methylphenyl)oxamide
CID 2287607
N-cyclododecyl-N'-(4-methylphenyl)oxamide
CID 2924110
N-[4-(cyclooctylamino)phenyl]propanamide
CID 43720606
(E)-3-[4-[4-(furan-2-ylmethylamino)phenyl]-2,5-dimethoxy-3,6-dimethylphenyl]-2-methylprop-2-enoic acid
CID 59031392
(E)-3-[4-[6-(cyclopentylamino)-3-pyridinyl]-2,3,5,6-tetramethylphenyl]-N-cyclopropyl-2-methylprop-2-enamide
CID 59031549
N-cyclopentyl-N'-(3,4,5-trimethoxyphenyl)oxamide
CID 108984057
N-[4-(cyclohexylamino)phenyl]pentanamide
CID 112980712

Frequently Asked Questions

What is the IUPAC name of (2E)-N-cyclopentyl-2-[[4-[4-(cyclopentylamino)phenyl]-2,5-dimethoxy-3,6-dimethylphenyl]methylidene]butanamide?
The IUPAC name of (2E)-N-cyclopentyl-2-[[4-[4-(cyclopentylamino)phenyl]-2,5-dimethoxy-3,6-dimethylphenyl]methylidene]butanamide (CID 59031195) is (2E)-N-cyclopentyl-2-[[4-[4-(cyclopentylamino)phenyl]-2,5-dimethoxy-3,6-dimethylphenyl]methylidene]butanamide.
What is the SMILES notation for (2E)-N-cyclopentyl-2-[[4-[4-(cyclopentylamino)phenyl]-2,5-dimethoxy-3,6-dimethylphenyl]methylidene]butanamide?
The canonical SMILES for (2E)-N-cyclopentyl-2-[[4-[4-(cyclopentylamino)phenyl]-2,5-dimethoxy-3,6-dimethylphenyl]methylidene]butanamide is CC/C(=C\c1c(C)c(OC)c(-c2ccc(NC3CCCC3)cc2)c(C)c1OC)C(=O)NC1CCCC1.
What is the InChIKey of (2E)-N-cyclopentyl-2-[[4-[4-(cyclopentylamino)phenyl]-2,5-dimethoxy-3,6-dimethylphenyl]methylidene]butanamide?
The InChIKey is UWDPUGXJYFPMDP-ZBJSNUHESA-N. The full InChI is InChI=1S/C31H42N2O3/c1-6-22(31(34)33-25-13-9-10-14-25)19-27-20(2)30(36-5)28(21(3)29(27)35-4)23-15-17-26(18-16-23)32-24-11-7-8-12-24/h15-19,24-25,32H,6-14H2,1-5H3,(H,33,34)/b22-19+.
What are the key properties of (2E)-N-cyclopentyl-2-[[4-[4-(cyclopentylamino)phenyl]-2,5-dimethoxy-3,6-dimethylphenyl]methylidene]butanamide?
(2E)-N-cyclopentyl-2-[[4-[4-(cyclopentylamino)phenyl]-2,5-dimethoxy-3,6-dimethylphenyl]methylidene]butanamide has a molecular weight of 490.69 g/mol, XLogP of 7.19, 9 rotatable bonds, 2 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for (2E)-N-cyclopentyl-2-[[4-[4-(cyclopentylamino)phenyl]-2,5-dimethoxy-3,6-dimethylphenyl]methylidene]butanamide is sourced from PubChem (CID 59031195), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).