(E)-N-[4-[4-(2-methoxyphenyl)piperazin-1-yl]butyl]-3-naphthalen-2-ylprop-2-enamide

C28H33N3O2 — CID 11102301

IUPAC(E)-N-[4-[4-(2-methoxyphenyl)piperazin-1-yl]butyl]-3-naphthalen-2-ylprop-2-enamide
SMILESCOc1ccccc1N1CCN(CCCCNC(=O)/C=C/c2ccc3ccccc3c2)CC1
InChIInChI=1S/C28H33N3O2/c1-33-27-11-5-4-10-26(27)31-20-18-30(19-21-31)17-7-6-16-29-28(32)15-13-23-12-14-24-8-2-3-9-25(24)22-23/h2-5,8-15,22H,6-7,16-21H2,1H3,(H,29,32)/b15-13+
InChIKeyWZTXLKNXNIFASN-FYWRMAATSA-N
MW443.59 g/mol
LogP4.58
Rot. Bonds9

About (E)-N-[4-[4-(2-methoxyphenyl)piperazin-1-yl]butyl]-3-naphthalen-2-ylprop-2-enamide

(E)-N-[4-[4-(2-methoxyphenyl)piperazin-1-yl]butyl]-3-naphthalen-2-ylprop-2-enamide (PubChem CID 11102301) has the molecular formula C28H33N3O2 and a molecular weight of 443.59 g/mol. Its IUPAC name is (E)-N-[4-[4-(2-methoxyphenyl)piperazin-1-yl]butyl]-3-naphthalen-2-ylprop-2-enamide.

Molecular Properties

Compound Name(E)-N-[4-[4-(2-methoxyphenyl)piperazin-1-yl]butyl]-3-naphthalen-2-ylprop-2-enamide
PubChem CID11102301
Molecular FormulaC28H33N3O2
Molecular Weight443.59 g/mol
Exact Mass443.26
IUPAC Name(E)-N-[4-[4-(2-methoxyphenyl)piperazin-1-yl]butyl]-3-naphthalen-2-ylprop-2-enamide
SMILESCOc1ccccc1N1CCN(CCCCNC(=O)/C=C/c2ccc3ccccc3c2)CC1
InChIInChI=1S/C28H33N3O2/c1-33-27-11-5-4-10-26(27)31-20-18-30(19-21-31)17-7-6-16-29-28(32)15-13-23-12-14-24-8-2-3-9-25(24)22-23/h2-5,8-15,22H,6-7,16-21H2,1H3,(H,29,32)/b15-13+
InChIKeyWZTXLKNXNIFASN-FYWRMAATSA-N
XLogP4.58
TPSA44.81 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds9
Heavy Atoms33
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500443.59
LogP ≤ 54.58
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

Computed Properties (RDKit)

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

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Related Compounds

2-Naphthalenecarboxamide, N-(4-(4-(2-methoxyphenyl)-1-piperazinyl)butyl)-
CID 3038495
BP-897
CID 3038494
GR-103691
CID 4302960
1-(2-Methoxy-phenyl)-4-[3-(1,2,3,4-tetrahydro-naphthalen-1-yl)-propyl]-piperazine
CID 10067369
2-Naphthalenecarboxamide, N-(2-ethoxyphenyl)-
CID 78442
6-[4-(2-methoxyphenyl)piperazin-1-yl]-N-(1,2,3,4-tetrahydronaphthalen-1-yl)hexanamide
CID 11432177
(2S)-N-{2-[(4-methoxyphenyl)amino]ethyl}-2-[(3-methylphenyl)formamido]-3-(naphthalen-2-yl)propanamide
CID 23648328
4-[4-[[4-Methoxy-3-(4-methylpiperazin-1-yl)phenyl]carbamoyl]phenyl]-3-methylbenzamide
CID 10718709
N-[4-[4-(2-methoxyphenyl)piperazin-1-yl]butyl]-4-phenylbenzamide
CID 10939167
N-(4-(4-(2-methoxyphenyl)piperazin-1-yl)butyl)-9H-fluorene-2-carboxamide
CID 11676873
(2S)-3-cyclohexyl-N-{2-[(4-methoxyphenyl)amino]ethyl}-2-(naphthalen-2-ylformamido)propanamide
CID 23648332
3-(4-Iodo-phenyl)-N-{4-[4-(2-methoxy-phenyl)-piperazin-1-yl]-butyl}-acrylamide
CID 9827991

Frequently Asked Questions

What is the IUPAC name of (E)-N-[4-[4-(2-methoxyphenyl)piperazin-1-yl]butyl]-3-naphthalen-2-ylprop-2-enamide?
The IUPAC name of (E)-N-[4-[4-(2-methoxyphenyl)piperazin-1-yl]butyl]-3-naphthalen-2-ylprop-2-enamide (CID 11102301) is (E)-N-[4-[4-(2-methoxyphenyl)piperazin-1-yl]butyl]-3-naphthalen-2-ylprop-2-enamide.
What is the SMILES notation for (E)-N-[4-[4-(2-methoxyphenyl)piperazin-1-yl]butyl]-3-naphthalen-2-ylprop-2-enamide?
The canonical SMILES for (E)-N-[4-[4-(2-methoxyphenyl)piperazin-1-yl]butyl]-3-naphthalen-2-ylprop-2-enamide is COc1ccccc1N1CCN(CCCCNC(=O)/C=C/c2ccc3ccccc3c2)CC1.
What is the InChIKey of (E)-N-[4-[4-(2-methoxyphenyl)piperazin-1-yl]butyl]-3-naphthalen-2-ylprop-2-enamide?
The InChIKey is WZTXLKNXNIFASN-FYWRMAATSA-N. The full InChI is InChI=1S/C28H33N3O2/c1-33-27-11-5-4-10-26(27)31-20-18-30(19-21-31)17-7-6-16-29-28(32)15-13-23-12-14-24-8-2-3-9-25(24)22-23/h2-5,8-15,22H,6-7,16-21H2,1H3,(H,29,32)/b15-13+.
What are the key properties of (E)-N-[4-[4-(2-methoxyphenyl)piperazin-1-yl]butyl]-3-naphthalen-2-ylprop-2-enamide?
(E)-N-[4-[4-(2-methoxyphenyl)piperazin-1-yl]butyl]-3-naphthalen-2-ylprop-2-enamide has a molecular weight of 443.59 g/mol, XLogP of 4.58, 9 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for (E)-N-[4-[4-(2-methoxyphenyl)piperazin-1-yl]butyl]-3-naphthalen-2-ylprop-2-enamide is sourced from PubChem (CID 11102301), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).