ethyl N-[3-[[1-[2,2-diethoxyethyl(2-methylbutyl)amino]-4-methyl-1-oxopentan-2-yl]amino]-3-oxopropyl]carbamate

C23H45N3O6 — CID 175985142

IUPACethyl N-[3-[[1-[2,2-diethoxyethyl(2-methylbutyl)amino]-4-methyl-1-oxopentan-2-yl]amino]-3-oxopropyl]carbamate
SMILESCCOC(=O)NCCC(=O)NC(CC(C)C)C(=O)N(CC(C)CC)CC(OCC)OCC
InChIInChI=1S/C23H45N3O6/c1-8-18(7)15-26(16-21(30-9-2)31-10-3)22(28)19(14-17(5)6)25-20(27)12-13-24-23(29)32-11-4/h17-19,21H,8-16H2,1-7H3,(H,24,29)(H,25,27)
InChIKeyMAUBDZWLURTRRG-UHFFFAOYSA-N
MW459.63 g/mol
LogP2.93
Rot. Bonds17

About ethyl N-[3-[[1-[2,2-diethoxyethyl(2-methylbutyl)amino]-4-methyl-1-oxopentan-2-yl]amino]-3-oxopropyl]carbamate

ethyl N-[3-[[1-[2,2-diethoxyethyl(2-methylbutyl)amino]-4-methyl-1-oxopentan-2-yl]amino]-3-oxopropyl]carbamate (PubChem CID 175985142) has the molecular formula C23H45N3O6 and a molecular weight of 459.63 g/mol. Its IUPAC name is ethyl N-[3-[[1-[2,2-diethoxyethyl(2-methylbutyl)amino]-4-methyl-1-oxopentan-2-yl]amino]-3-oxopropyl]carbamate.

Molecular Properties

Compound Nameethyl N-[3-[[1-[2,2-diethoxyethyl(2-methylbutyl)amino]-4-methyl-1-oxopentan-2-yl]amino]-3-oxopropyl]carbamate
PubChem CID175985142
Molecular FormulaC23H45N3O6
Molecular Weight459.63 g/mol
Exact Mass459.33
IUPAC Nameethyl N-[3-[[1-[2,2-diethoxyethyl(2-methylbutyl)amino]-4-methyl-1-oxopentan-2-yl]amino]-3-oxopropyl]carbamate
SMILESCCOC(=O)NCCC(=O)NC(CC(C)C)C(=O)N(CC(C)CC)CC(OCC)OCC
InChIInChI=1S/C23H45N3O6/c1-8-18(7)15-26(16-21(30-9-2)31-10-3)22(28)19(14-17(5)6)25-20(27)12-13-24-23(29)32-11-4/h17-19,21H,8-16H2,1-7H3,(H,24,29)(H,25,27)
InChIKeyMAUBDZWLURTRRG-UHFFFAOYSA-N
XLogP2.93
TPSA106.20 Ų
H-Bond Donors2
H-Bond Acceptors6
Rotatable Bonds17
Heavy Atoms32
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500459.63
LogP ≤ 52.93
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 106

Computed Properties (RDKit)

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

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Related Compounds

[3-[[1-[2,2-diethoxyethyl(2-methylbutyl)amino]-4-methyl-1-oxopentan-2-yl]amino]-3-oxopropyl] carbamate
CID 175449259
methyl N-[1-[2,2-diethoxyethyl(2-methylbutyl)amino]-3-hydroxy-1-oxopropan-2-yl]carbamate
CID 175713309
2-amino-N-(2,2-diethoxyethyl)-3-hydroxy-N-(2-methylbutyl)propanamide
CID 169005613
ethyl N-[3-(methylamino)-3-oxopropyl]carbamate
CID 60762452
(2S)-2-(3-acetamidopropanoylamino)-4-methylpentanoic acid
CID 61137787
ethyl N-(1-chloro-5-methyl-2-oxohexan-3-yl)carbamate
CID 104700673
methyl 4-methyl-2-(3-methylpentanoylamino)pentanoate
CID 114875725
2,3,4-trimethylhexyl N-(3,3-diethoxypropyl)carbamate
CID 59537059
ethyl N-[3-[[(1S)-1-(5-methylfuran-2-yl)ethyl]amino]-3-oxopropyl]carbamate
CID 38468933
methyl N-[3-(butan-2-ylamino)-3-oxopropyl]carbamate
CID 115590026
ethyl N-[2-(2-methylpropylcarbamoylamino)ethyl]carbamate
CID 108867369
2-methylbutyl N-propylcarbamate
CID 127538020

Frequently Asked Questions

What is the IUPAC name of ethyl N-[3-[[1-[2,2-diethoxyethyl(2-methylbutyl)amino]-4-methyl-1-oxopentan-2-yl]amino]-3-oxopropyl]carbamate?
The IUPAC name of ethyl N-[3-[[1-[2,2-diethoxyethyl(2-methylbutyl)amino]-4-methyl-1-oxopentan-2-yl]amino]-3-oxopropyl]carbamate (CID 175985142) is ethyl N-[3-[[1-[2,2-diethoxyethyl(2-methylbutyl)amino]-4-methyl-1-oxopentan-2-yl]amino]-3-oxopropyl]carbamate.
What is the SMILES notation for ethyl N-[3-[[1-[2,2-diethoxyethyl(2-methylbutyl)amino]-4-methyl-1-oxopentan-2-yl]amino]-3-oxopropyl]carbamate?
The canonical SMILES for ethyl N-[3-[[1-[2,2-diethoxyethyl(2-methylbutyl)amino]-4-methyl-1-oxopentan-2-yl]amino]-3-oxopropyl]carbamate is CCOC(=O)NCCC(=O)NC(CC(C)C)C(=O)N(CC(C)CC)CC(OCC)OCC.
What is the InChIKey of ethyl N-[3-[[1-[2,2-diethoxyethyl(2-methylbutyl)amino]-4-methyl-1-oxopentan-2-yl]amino]-3-oxopropyl]carbamate?
The InChIKey is MAUBDZWLURTRRG-UHFFFAOYSA-N. The full InChI is InChI=1S/C23H45N3O6/c1-8-18(7)15-26(16-21(30-9-2)31-10-3)22(28)19(14-17(5)6)25-20(27)12-13-24-23(29)32-11-4/h17-19,21H,8-16H2,1-7H3,(H,24,29)(H,25,27).
What are the key properties of ethyl N-[3-[[1-[2,2-diethoxyethyl(2-methylbutyl)amino]-4-methyl-1-oxopentan-2-yl]amino]-3-oxopropyl]carbamate?
ethyl N-[3-[[1-[2,2-diethoxyethyl(2-methylbutyl)amino]-4-methyl-1-oxopentan-2-yl]amino]-3-oxopropyl]carbamate has a molecular weight of 459.63 g/mol, XLogP of 2.93, 17 rotatable bonds, 2 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for ethyl N-[3-[[1-[2,2-diethoxyethyl(2-methylbutyl)amino]-4-methyl-1-oxopentan-2-yl]amino]-3-oxopropyl]carbamate is sourced from PubChem (CID 175985142), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).