N-[3-[5-[2-ethenyl-1-[(Z)-prop-1-enyl]-3H-inden-5-yl]pentyl]phenyl]acetamide;2-methylprop-1-ene

C31H39NO — CID 143490736

IUPACN-[3-[5-[2-ethenyl-1-[(Z)-prop-1-enyl]-3H-inden-5-yl]pentyl]phenyl]acetamide;2-methylprop-1-ene
SMILESC=C(C)C.C=CC1=C(/C=C\C)c2ccc(CCCCCc3cccc(NC(C)=O)c3)cc2C1
InChIInChI=1S/C27H31NO.C4H8/c1-4-10-26-23(5-2)19-24-17-22(15-16-27(24)26)12-8-6-7-11-21-13-9-14-25(18-21)28-20(3)29;1-4(2)3/h4-5,9-10,13-18H,2,6-8,11-12,19H2,1,3H3,(H,28,29);1H2,2-3H3/b10-4-;
InChIKeyWGXWKPYDSWTYLY-MDZFRNKHSA-N
MW441.66 g/mol
LogP8.25
Rot. Bonds9

About N-[3-[5-[2-ethenyl-1-[(Z)-prop-1-enyl]-3H-inden-5-yl]pentyl]phenyl]acetamide;2-methylprop-1-ene

N-[3-[5-[2-ethenyl-1-[(Z)-prop-1-enyl]-3H-inden-5-yl]pentyl]phenyl]acetamide;2-methylprop-1-ene (PubChem CID 143490736) has the molecular formula C31H39NO and a molecular weight of 441.66 g/mol. Its IUPAC name is N-[3-[5-[2-ethenyl-1-[(Z)-prop-1-enyl]-3H-inden-5-yl]pentyl]phenyl]acetamide;2-methylprop-1-ene.

Molecular Properties

Compound NameN-[3-[5-[2-ethenyl-1-[(Z)-prop-1-enyl]-3H-inden-5-yl]pentyl]phenyl]acetamide;2-methylprop-1-ene
PubChem CID143490736
Molecular FormulaC31H39NO
Molecular Weight441.66 g/mol
Exact Mass441.30
IUPAC NameN-[3-[5-[2-ethenyl-1-[(Z)-prop-1-enyl]-3H-inden-5-yl]pentyl]phenyl]acetamide;2-methylprop-1-ene
SMILESC=C(C)C.C=CC1=C(/C=C\C)c2ccc(CCCCCc3cccc(NC(C)=O)c3)cc2C1
InChIInChI=1S/C27H31NO.C4H8/c1-4-10-26-23(5-2)19-24-17-22(15-16-27(24)26)12-8-6-7-11-21-13-9-14-25(18-21)28-20(3)29;1-4(2)3/h4-5,9-10,13-18H,2,6-8,11-12,19H2,1,3H3,(H,28,29);1H2,2-3H3/b10-4-;
InChIKeyWGXWKPYDSWTYLY-MDZFRNKHSA-N
XLogP8.25
TPSA29.10 Ų
H-Bond Donors1
H-Bond Acceptors1
Rotatable Bonds9
Heavy Atoms33
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500441.66
LogP ≤ 58.25
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 101

Computed Properties (RDKit)

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

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Related Compounds

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CID 3022474
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N-(3-acetamidophenyl)-3-(3-phenylpropylamino)propanamide
CID 109030973
1-(7-nonyl-9H-fluoren-2-yl)ethanone
CID 12721144
N-[3-(sulfanylmethyl)phenyl]acetamide
CID 17308
N-[3-[2-[4-[(hydrazinecarbonylamino)methyl]phenyl]ethyl]phenyl]acetamide
CID 151709013
[4-(3-hexylanilino)-4-oxobutyl]phosphonic acid
CID 130432103
N-[3-(aminomethyl)phenyl]acetamide;hydrochloride
CID 2760945
3-chloro-N-(3-pentylphenyl)propanamide
CID 46837314
N-[3-[3-[4-(2-tricyclo[9.4.0.03,8]pentadeca-1(15),3,5,7,9,11,13-heptaenylidene)piperidin-1-yl]propyl]phenyl]acetamide
CID 22990707
N-[3-(ethylaminomethyl)phenyl]acetamide
CID 43601248
5-(4-acetamidophenyl)pentanoic acid
CID 82255364

Frequently Asked Questions

What is the IUPAC name of N-[3-[5-[2-ethenyl-1-[(Z)-prop-1-enyl]-3H-inden-5-yl]pentyl]phenyl]acetamide;2-methylprop-1-ene?
The IUPAC name of N-[3-[5-[2-ethenyl-1-[(Z)-prop-1-enyl]-3H-inden-5-yl]pentyl]phenyl]acetamide;2-methylprop-1-ene (CID 143490736) is N-[3-[5-[2-ethenyl-1-[(Z)-prop-1-enyl]-3H-inden-5-yl]pentyl]phenyl]acetamide;2-methylprop-1-ene.
What is the SMILES notation for N-[3-[5-[2-ethenyl-1-[(Z)-prop-1-enyl]-3H-inden-5-yl]pentyl]phenyl]acetamide;2-methylprop-1-ene?
The canonical SMILES for N-[3-[5-[2-ethenyl-1-[(Z)-prop-1-enyl]-3H-inden-5-yl]pentyl]phenyl]acetamide;2-methylprop-1-ene is C=C(C)C.C=CC1=C(/C=C\C)c2ccc(CCCCCc3cccc(NC(C)=O)c3)cc2C1.
What is the InChIKey of N-[3-[5-[2-ethenyl-1-[(Z)-prop-1-enyl]-3H-inden-5-yl]pentyl]phenyl]acetamide;2-methylprop-1-ene?
The InChIKey is WGXWKPYDSWTYLY-MDZFRNKHSA-N. The full InChI is InChI=1S/C27H31NO.C4H8/c1-4-10-26-23(5-2)19-24-17-22(15-16-27(24)26)12-8-6-7-11-21-13-9-14-25(18-21)28-20(3)29;1-4(2)3/h4-5,9-10,13-18H,2,6-8,11-12,19H2,1,3H3,(H,28,29);1H2,2-3H3/b10-4-;.
What are the key properties of N-[3-[5-[2-ethenyl-1-[(Z)-prop-1-enyl]-3H-inden-5-yl]pentyl]phenyl]acetamide;2-methylprop-1-ene?
N-[3-[5-[2-ethenyl-1-[(Z)-prop-1-enyl]-3H-inden-5-yl]pentyl]phenyl]acetamide;2-methylprop-1-ene has a molecular weight of 441.66 g/mol, XLogP of 8.25, 9 rotatable bonds, 1 hydrogen bond donors, and 1 hydrogen bond acceptors.
Where does this data come from?
All data for N-[3-[5-[2-ethenyl-1-[(Z)-prop-1-enyl]-3H-inden-5-yl]pentyl]phenyl]acetamide;2-methylprop-1-ene is sourced from PubChem (CID 143490736), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).