3-methyl-N-[2-[2-[2-[3-(4-methylpentylamino)-3-oxopropoxy]ethoxy]ethoxy]ethyl]pentanamide

C21H42N2O5 — CID 168959082

IUPAC3-methyl-N-[2-[2-[2-[3-(4-methylpentylamino)-3-oxopropoxy]ethoxy]ethoxy]ethyl]pentanamide
SMILESCCC(C)CC(=O)NCCOCCOCCOCCC(=O)NCCCC(C)C
InChIInChI=1S/C21H42N2O5/c1-5-19(4)17-21(25)23-10-12-27-14-16-28-15-13-26-11-8-20(24)22-9-6-7-18(2)3/h18-19H,5-17H2,1-4H3,(H,22,24)(H,23,25)
InChIKeyOARCALDJWWJBKI-UHFFFAOYSA-N
MW402.58 g/mol
LogP2.53
Rot. Bonds19

About 3-methyl-N-[2-[2-[2-[3-(4-methylpentylamino)-3-oxopropoxy]ethoxy]ethoxy]ethyl]pentanamide

3-methyl-N-[2-[2-[2-[3-(4-methylpentylamino)-3-oxopropoxy]ethoxy]ethoxy]ethyl]pentanamide (PubChem CID 168959082) has the molecular formula C21H42N2O5 and a molecular weight of 402.58 g/mol. Its IUPAC name is 3-methyl-N-[2-[2-[2-[3-(4-methylpentylamino)-3-oxopropoxy]ethoxy]ethoxy]ethyl]pentanamide.

Molecular Properties

Compound Name3-methyl-N-[2-[2-[2-[3-(4-methylpentylamino)-3-oxopropoxy]ethoxy]ethoxy]ethyl]pentanamide
PubChem CID168959082
Molecular FormulaC21H42N2O5
Molecular Weight402.58 g/mol
Exact Mass402.31
IUPAC Name3-methyl-N-[2-[2-[2-[3-(4-methylpentylamino)-3-oxopropoxy]ethoxy]ethoxy]ethyl]pentanamide
SMILESCCC(C)CC(=O)NCCOCCOCCOCCC(=O)NCCCC(C)C
InChIInChI=1S/C21H42N2O5/c1-5-19(4)17-21(25)23-10-12-27-14-16-28-15-13-26-11-8-20(24)22-9-6-7-18(2)3/h18-19H,5-17H2,1-4H3,(H,22,24)(H,23,25)
InChIKeyOARCALDJWWJBKI-UHFFFAOYSA-N
XLogP2.53
TPSA85.89 Ų
H-Bond Donors2
H-Bond Acceptors5
Rotatable Bonds19
Heavy Atoms28
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500402.58
LogP ≤ 52.53
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 105

Computed Properties (RDKit)

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

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Related Compounds

N-(4-methylpentyl)-3-[3-(2-methylpropylamino)-3-oxopropoxy]propanamide
CID 177260511
N-[2-(2-hydroxyethoxy)ethyl]-3-methylpentanamide
CID 114875395
N-[2-(2-bromoethoxy)ethyl]-3-methylpentanamide
CID 114876985
3-methyl-N-[2-oxo-2-[2-[2-[2-[2-(3-oxopropoxy)ethoxy]ethoxy]ethoxy]ethylamino]ethyl]pentanamide
CID 145418064
N-[2-[2-[2-[2-[2-(butanoylamino)ethoxy]ethoxy]ethoxy]ethoxy]ethyl]-3-methylbutanamide
CID 129177572
N-(5-bromo-4-methylpentyl)-3-methylpentanamide
CID 106157951
4-methyl-N-[2-(2-propan-2-yloxyethoxy)ethyl]pentanamide
CID 176759210
N-(3-methylbutyl)-3-(2-propoxyethoxy)propanamide
CID 167117369
6-methyl-N-[2-[2-[2-[2-(4-methyl-3-oxopentoxy)ethoxy]ethoxy]ethoxy]ethyl]heptanamide
CID 168756309
N-(4-hydroxypentyl)-3-methylpentanamide
CID 107300592
4-hydroxy-N-[2-[2-(4-methylhexoxy)ethoxy]ethyl]butanamide
CID 163400778
6-methyl-N-[2-[2-[2-[2-[2-[2-[3-(3-methylbutylamino)-3-oxopropoxy]ethoxy]ethoxy]ethoxy]ethoxy]ethoxy]ethyl]-5-oxoheptanamide
CID 176717444

Frequently Asked Questions

What is the IUPAC name of 3-methyl-N-[2-[2-[2-[3-(4-methylpentylamino)-3-oxopropoxy]ethoxy]ethoxy]ethyl]pentanamide?
The IUPAC name of 3-methyl-N-[2-[2-[2-[3-(4-methylpentylamino)-3-oxopropoxy]ethoxy]ethoxy]ethyl]pentanamide (CID 168959082) is 3-methyl-N-[2-[2-[2-[3-(4-methylpentylamino)-3-oxopropoxy]ethoxy]ethoxy]ethyl]pentanamide.
What is the SMILES notation for 3-methyl-N-[2-[2-[2-[3-(4-methylpentylamino)-3-oxopropoxy]ethoxy]ethoxy]ethyl]pentanamide?
The canonical SMILES for 3-methyl-N-[2-[2-[2-[3-(4-methylpentylamino)-3-oxopropoxy]ethoxy]ethoxy]ethyl]pentanamide is CCC(C)CC(=O)NCCOCCOCCOCCC(=O)NCCCC(C)C.
What is the InChIKey of 3-methyl-N-[2-[2-[2-[3-(4-methylpentylamino)-3-oxopropoxy]ethoxy]ethoxy]ethyl]pentanamide?
The InChIKey is OARCALDJWWJBKI-UHFFFAOYSA-N. The full InChI is InChI=1S/C21H42N2O5/c1-5-19(4)17-21(25)23-10-12-27-14-16-28-15-13-26-11-8-20(24)22-9-6-7-18(2)3/h18-19H,5-17H2,1-4H3,(H,22,24)(H,23,25).
What are the key properties of 3-methyl-N-[2-[2-[2-[3-(4-methylpentylamino)-3-oxopropoxy]ethoxy]ethoxy]ethyl]pentanamide?
3-methyl-N-[2-[2-[2-[3-(4-methylpentylamino)-3-oxopropoxy]ethoxy]ethoxy]ethyl]pentanamide has a molecular weight of 402.58 g/mol, XLogP of 2.53, 19 rotatable bonds, 2 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 3-methyl-N-[2-[2-[2-[3-(4-methylpentylamino)-3-oxopropoxy]ethoxy]ethoxy]ethyl]pentanamide is sourced from PubChem (CID 168959082), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).