N-butyl-N-(2,2-dimethoxyethyl)-3-[2-[3-[2-(4-prop-2-enehydrazonoyl-1-oxa-4,9-diazaspiro[5.5]undecan-9-yl)ethyl]phenyl]ethoxy]propanamide;ethane

C34H59N5O5 — CID 142313565

IUPACN-butyl-N-(2,2-dimethoxyethyl)-3-[2-[3-[2-(4-prop-2-enehydrazonoyl-1-oxa-4,9-diazaspiro[5.5]undecan-9-yl)ethyl]phenyl]ethoxy]propanamide;ethane
SMILESC=C/C(=N\N)N1CCOC2(CCN(CCc3cccc(CCOCCC(=O)N(CCCC)CC(OC)OC)c3)CC2)C1.CC
InChIInChI=1S/C32H53N5O5.C2H6/c1-5-7-16-36(25-31(39-3)40-4)30(38)13-22-41-21-12-28-10-8-9-27(24-28)11-17-35-18-14-32(15-19-35)26-37(20-23-42-32)29(6-2)34-33;1-2/h6,8-10,24,31H,2,5,7,11-23,25-26,33H2,1,3-4H3;1-2H3/b34-29+;
InChIKeyNWPPKUBYSIAXFT-XETKNIPTSA-N
MW617.88 g/mol
LogP4.08
Rot. Bonds17

About N-butyl-N-(2,2-dimethoxyethyl)-3-[2-[3-[2-(4-prop-2-enehydrazonoyl-1-oxa-4,9-diazaspiro[5.5]undecan-9-yl)ethyl]phenyl]ethoxy]propanamide;ethane

N-butyl-N-(2,2-dimethoxyethyl)-3-[2-[3-[2-(4-prop-2-enehydrazonoyl-1-oxa-4,9-diazaspiro[5.5]undecan-9-yl)ethyl]phenyl]ethoxy]propanamide;ethane (PubChem CID 142313565) has the molecular formula C34H59N5O5 and a molecular weight of 617.88 g/mol. Its IUPAC name is N-butyl-N-(2,2-dimethoxyethyl)-3-[2-[3-[2-(4-prop-2-enehydrazonoyl-1-oxa-4,9-diazaspiro[5.5]undecan-9-yl)ethyl]phenyl]ethoxy]propanamide;ethane.

Molecular Properties

Compound NameN-butyl-N-(2,2-dimethoxyethyl)-3-[2-[3-[2-(4-prop-2-enehydrazonoyl-1-oxa-4,9-diazaspiro[5.5]undecan-9-yl)ethyl]phenyl]ethoxy]propanamide;ethane
PubChem CID142313565
Molecular FormulaC34H59N5O5
Molecular Weight617.88 g/mol
Exact Mass617.45
IUPAC NameN-butyl-N-(2,2-dimethoxyethyl)-3-[2-[3-[2-(4-prop-2-enehydrazonoyl-1-oxa-4,9-diazaspiro[5.5]undecan-9-yl)ethyl]phenyl]ethoxy]propanamide;ethane
SMILESC=C/C(=N\N)N1CCOC2(CCN(CCc3cccc(CCOCCC(=O)N(CCCC)CC(OC)OC)c3)CC2)C1.CC
InChIInChI=1S/C32H53N5O5.C2H6/c1-5-7-16-36(25-31(39-3)40-4)30(38)13-22-41-21-12-28-10-8-9-27(24-28)11-17-35-18-14-32(15-19-35)26-37(20-23-42-32)29(6-2)34-33;1-2/h6,8-10,24,31H,2,5,7,11-23,25-26,33H2,1,3-4H3;1-2H3/b34-29+;
InChIKeyNWPPKUBYSIAXFT-XETKNIPTSA-N
XLogP4.08
TPSA102.09 Ų
H-Bond Donors1
H-Bond Acceptors8
Rotatable Bonds17
Heavy Atoms44
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500617.88
LogP ≤ 54.08
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 108

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'Aliphatic_long_chain', 'substructure': 'N/A'}, {'alert_name': 'het-C-het_not_in_ring', 'substructure': 'N/A'}, {'alert_name': 'hydrazine', 'substructure': 'N/A'}, {'alert_name': 'imine_1', 'substructure': 'N/A'}, {'alert_name': 'imine_2', 'substructure': 'N/A'}

Analyze N-butyl-N-(2,2-dimethoxyethyl)-3-[2-[3-[2-(4-prop-2-enehydrazonoyl-1-oxa-4,9-diazaspiro[5.5]undecan-9-yl)ethyl]phenyl]ethoxy]propanamide;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

N-(2,2-dimethoxyethyl)-N-methyl-3-[2-[3-[2-(1-oxa-4,9-diazaspiro[5.5]undecan-9-yl)ethyl]phenyl]ethoxy]propanamide
CID 142313481
N-(2,2-dimethoxyethyl)-N-methyl-3-[2-[3-[2-(1-oxa-4,9-diazaspiro[5.5]undecan-9-yl)ethyl]phenyl]ethoxy]propanamide;ethane
CID 142313752
N-butyl-N-(2,2-dimethoxyethyl)-3-[2-[3-[2-(4-prop-2-enehydrazonoyl-1-oxa-4,9-diazaspiro[5.5]undecan-9-yl)ethyl]phenyl]ethoxy]propanamide
CID 142313566

Frequently Asked Questions

What is the IUPAC name of N-butyl-N-(2,2-dimethoxyethyl)-3-[2-[3-[2-(4-prop-2-enehydrazonoyl-1-oxa-4,9-diazaspiro[5.5]undecan-9-yl)ethyl]phenyl]ethoxy]propanamide;ethane?
The IUPAC name of N-butyl-N-(2,2-dimethoxyethyl)-3-[2-[3-[2-(4-prop-2-enehydrazonoyl-1-oxa-4,9-diazaspiro[5.5]undecan-9-yl)ethyl]phenyl]ethoxy]propanamide;ethane (CID 142313565) is N-butyl-N-(2,2-dimethoxyethyl)-3-[2-[3-[2-(4-prop-2-enehydrazonoyl-1-oxa-4,9-diazaspiro[5.5]undecan-9-yl)ethyl]phenyl]ethoxy]propanamide;ethane.
What is the SMILES notation for N-butyl-N-(2,2-dimethoxyethyl)-3-[2-[3-[2-(4-prop-2-enehydrazonoyl-1-oxa-4,9-diazaspiro[5.5]undecan-9-yl)ethyl]phenyl]ethoxy]propanamide;ethane?
The canonical SMILES for N-butyl-N-(2,2-dimethoxyethyl)-3-[2-[3-[2-(4-prop-2-enehydrazonoyl-1-oxa-4,9-diazaspiro[5.5]undecan-9-yl)ethyl]phenyl]ethoxy]propanamide;ethane is C=C/C(=N\N)N1CCOC2(CCN(CCc3cccc(CCOCCC(=O)N(CCCC)CC(OC)OC)c3)CC2)C1.CC.
What is the InChIKey of N-butyl-N-(2,2-dimethoxyethyl)-3-[2-[3-[2-(4-prop-2-enehydrazonoyl-1-oxa-4,9-diazaspiro[5.5]undecan-9-yl)ethyl]phenyl]ethoxy]propanamide;ethane?
The InChIKey is NWPPKUBYSIAXFT-XETKNIPTSA-N. The full InChI is InChI=1S/C32H53N5O5.C2H6/c1-5-7-16-36(25-31(39-3)40-4)30(38)13-22-41-21-12-28-10-8-9-27(24-28)11-17-35-18-14-32(15-19-35)26-37(20-23-42-32)29(6-2)34-33;1-2/h6,8-10,24,31H,2,5,7,11-23,25-26,33H2,1,3-4H3;1-2H3/b34-29+;.
What are the key properties of N-butyl-N-(2,2-dimethoxyethyl)-3-[2-[3-[2-(4-prop-2-enehydrazonoyl-1-oxa-4,9-diazaspiro[5.5]undecan-9-yl)ethyl]phenyl]ethoxy]propanamide;ethane?
N-butyl-N-(2,2-dimethoxyethyl)-3-[2-[3-[2-(4-prop-2-enehydrazonoyl-1-oxa-4,9-diazaspiro[5.5]undecan-9-yl)ethyl]phenyl]ethoxy]propanamide;ethane has a molecular weight of 617.88 g/mol, XLogP of 4.08, 17 rotatable bonds, 1 hydrogen bond donors, and 8 hydrogen bond acceptors.
Where does this data come from?
All data for N-butyl-N-(2,2-dimethoxyethyl)-3-[2-[3-[2-(4-prop-2-enehydrazonoyl-1-oxa-4,9-diazaspiro[5.5]undecan-9-yl)ethyl]phenyl]ethoxy]propanamide;ethane is sourced from PubChem (CID 142313565), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).