butane;(Z)-2-(2,3-dihydro-1H-inden-2-yloxy)-3-(hexylamino)but-2-enamide;ethane

C27H50N2O2 — CID 145477988

IUPACbutane;(Z)-2-(2,3-dihydro-1H-inden-2-yloxy)-3-(hexylamino)but-2-enamide;ethane
SMILESCC.CC.CCCC.CCCCCCN/C(C)=C(\OC1Cc2ccccc2C1)C(N)=O
InChIInChI=1S/C19H28N2O2.C4H10.2C2H6/c1-3-4-5-8-11-21-14(2)18(19(20)22)23-17-12-15-9-6-7-10-16(15)13-17;1-3-4-2;2*1-2/h6-7,9-10,17,21H,3-5,8,11-13H2,1-2H3,(H2,20,22);3-4H2,1-2H3;2*1-2H3/b18-14-;;;
InChIKeyACZZFFIOKNLRRE-UHVHQYFJSA-N
MW434.71 g/mol
LogP6.92
Rot. Bonds10

About butane;(Z)-2-(2,3-dihydro-1H-inden-2-yloxy)-3-(hexylamino)but-2-enamide;ethane

butane;(Z)-2-(2,3-dihydro-1H-inden-2-yloxy)-3-(hexylamino)but-2-enamide;ethane (PubChem CID 145477988) has the molecular formula C27H50N2O2 and a molecular weight of 434.71 g/mol. Its IUPAC name is butane;(Z)-2-(2,3-dihydro-1H-inden-2-yloxy)-3-(hexylamino)but-2-enamide;ethane.

Molecular Properties

Compound Namebutane;(Z)-2-(2,3-dihydro-1H-inden-2-yloxy)-3-(hexylamino)but-2-enamide;ethane
PubChem CID145477988
Molecular FormulaC27H50N2O2
Molecular Weight434.71 g/mol
Exact Mass434.39
IUPAC Namebutane;(Z)-2-(2,3-dihydro-1H-inden-2-yloxy)-3-(hexylamino)but-2-enamide;ethane
SMILESCC.CC.CCCC.CCCCCCN/C(C)=C(\OC1Cc2ccccc2C1)C(N)=O
InChIInChI=1S/C19H28N2O2.C4H10.2C2H6/c1-3-4-5-8-11-21-14(2)18(19(20)22)23-17-12-15-9-6-7-10-16(15)13-17;1-3-4-2;2*1-2/h6-7,9-10,17,21H,3-5,8,11-13H2,1-2H3,(H2,20,22);3-4H2,1-2H3;2*1-2H3/b18-14-;;;
InChIKeyACZZFFIOKNLRRE-UHVHQYFJSA-N
XLogP6.92
TPSA64.35 Ų
H-Bond Donors2
H-Bond Acceptors3
Rotatable Bonds10
Heavy Atoms31
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500434.71
LogP ≤ 56.92
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 103

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'acyclic_C=C-O', 'substructure': 'N/A'}, {'alert_name': 'Aliphatic_long_chain', 'substructure': 'N/A'}, {'alert_name': 'Michael_acceptor_1', 'substructure': 'N/A'}

Analyze butane;(Z)-2-(2,3-dihydro-1H-inden-2-yloxy)-3-(hexylamino)but-2-enamide;ethane with MolForge

Explore ADMET properties, 3D molecular structure, drug-likeness score, and discover similar compounds using our AI-powered platform.

Launch Full Analysis

Related Compounds

2,3-dihydro-1H-inden-2-yl N-hexylcarbamate;2,3-dihydro-1H-inden-2-yloxycarbonyl(hexyl)carbamic acid
CID 173281219
N-pentyl-1,2,3,4-tetrahydroisoquinoline-3-carboxamide
CID 24699121
2,3-dihydro-1H-inden-2-yloxycarbonyl(hexyl)carbamic acid
CID 21259489
(2S)-N-pentyl-2,3-dihydro-1H-indole-2-carboxamide
CID 61148939
decyl 2,3-dihydro-1H-indene-2-carboxylate
CID 122577594
N-butyl-2-(2,3-dihydro-1H-inden-2-yl)acetamide
CID 125481439
N-nonyl-2,3-dihydro-1H-inden-2-amine
CID 107851988
N-(3-phenylbut-2-en-2-yl)dodecan-1-amine
CID 157062948
(2S)-2-amino-N-decyl-2-phenylacetamide
CID 104898142
N-pentyl-2-(1,2,3,4-tetrahydronaphthalen-2-ylamino)propanamide
CID 60719609
(3R)-2-(3,4-dimethoxyphenyl)sulfonyl-N-hexyl-3,4-dihydro-1H-isoquinoline-3-carboxamide
CID 26864527
N-nonadecylacetamide
CID 54574805

Frequently Asked Questions

What is the IUPAC name of butane;(Z)-2-(2,3-dihydro-1H-inden-2-yloxy)-3-(hexylamino)but-2-enamide;ethane?
The IUPAC name of butane;(Z)-2-(2,3-dihydro-1H-inden-2-yloxy)-3-(hexylamino)but-2-enamide;ethane (CID 145477988) is butane;(Z)-2-(2,3-dihydro-1H-inden-2-yloxy)-3-(hexylamino)but-2-enamide;ethane.
What is the SMILES notation for butane;(Z)-2-(2,3-dihydro-1H-inden-2-yloxy)-3-(hexylamino)but-2-enamide;ethane?
The canonical SMILES for butane;(Z)-2-(2,3-dihydro-1H-inden-2-yloxy)-3-(hexylamino)but-2-enamide;ethane is CC.CC.CCCC.CCCCCCN/C(C)=C(\OC1Cc2ccccc2C1)C(N)=O.
What is the InChIKey of butane;(Z)-2-(2,3-dihydro-1H-inden-2-yloxy)-3-(hexylamino)but-2-enamide;ethane?
The InChIKey is ACZZFFIOKNLRRE-UHVHQYFJSA-N. The full InChI is InChI=1S/C19H28N2O2.C4H10.2C2H6/c1-3-4-5-8-11-21-14(2)18(19(20)22)23-17-12-15-9-6-7-10-16(15)13-17;1-3-4-2;2*1-2/h6-7,9-10,17,21H,3-5,8,11-13H2,1-2H3,(H2,20,22);3-4H2,1-2H3;2*1-2H3/b18-14-;;;.
What are the key properties of butane;(Z)-2-(2,3-dihydro-1H-inden-2-yloxy)-3-(hexylamino)but-2-enamide;ethane?
butane;(Z)-2-(2,3-dihydro-1H-inden-2-yloxy)-3-(hexylamino)but-2-enamide;ethane has a molecular weight of 434.71 g/mol, XLogP of 6.92, 10 rotatable bonds, 2 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for butane;(Z)-2-(2,3-dihydro-1H-inden-2-yloxy)-3-(hexylamino)but-2-enamide;ethane is sourced from PubChem (CID 145477988), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).