4-methyl-N-[3-[4-[3-[2-(2-methylpropanoylamino)ethoxy]propanoyl]piperazin-1-yl]propyl]pentanamide

C22H42N4O4 — CID 168721590

IUPAC4-methyl-N-[3-[4-[3-[2-(2-methylpropanoylamino)ethoxy]propanoyl]piperazin-1-yl]propyl]pentanamide
SMILESCC(C)CCC(=O)NCCCN1CCN(C(=O)CCOCCNC(=O)C(C)C)CC1
InChIInChI=1S/C22H42N4O4/c1-18(2)6-7-20(27)23-9-5-11-25-12-14-26(15-13-25)21(28)8-16-30-17-10-24-22(29)19(3)4/h18-19H,5-17H2,1-4H3,(H,23,27)(H,24,29)
InChIKeyMDGHOSRVQZJBLH-UHFFFAOYSA-N
MW426.60 g/mol
LogP1.25
Rot. Bonds14

About 4-methyl-N-[3-[4-[3-[2-(2-methylpropanoylamino)ethoxy]propanoyl]piperazin-1-yl]propyl]pentanamide

4-methyl-N-[3-[4-[3-[2-(2-methylpropanoylamino)ethoxy]propanoyl]piperazin-1-yl]propyl]pentanamide (PubChem CID 168721590) has the molecular formula C22H42N4O4 and a molecular weight of 426.60 g/mol. Its IUPAC name is 4-methyl-N-[3-[4-[3-[2-(2-methylpropanoylamino)ethoxy]propanoyl]piperazin-1-yl]propyl]pentanamide.

Molecular Properties

Compound Name4-methyl-N-[3-[4-[3-[2-(2-methylpropanoylamino)ethoxy]propanoyl]piperazin-1-yl]propyl]pentanamide
PubChem CID168721590
Molecular FormulaC22H42N4O4
Molecular Weight426.60 g/mol
Exact Mass426.32
IUPAC Name4-methyl-N-[3-[4-[3-[2-(2-methylpropanoylamino)ethoxy]propanoyl]piperazin-1-yl]propyl]pentanamide
SMILESCC(C)CCC(=O)NCCCN1CCN(C(=O)CCOCCNC(=O)C(C)C)CC1
InChIInChI=1S/C22H42N4O4/c1-18(2)6-7-20(27)23-9-5-11-25-12-14-26(15-13-25)21(28)8-16-30-17-10-24-22(29)19(3)4/h18-19H,5-17H2,1-4H3,(H,23,27)(H,24,29)
InChIKeyMDGHOSRVQZJBLH-UHFFFAOYSA-N
XLogP1.25
TPSA90.98 Ų
H-Bond Donors2
H-Bond Acceptors5
Rotatable Bonds14
Heavy Atoms30
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500426.60
LogP ≤ 51.25
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

2-methyl-N-[3-[4-(3-methylbutanoyl)piperazin-1-yl]propyl]propanamide
CID 129177596
N-[2-(3-methylbutoxy)ethyl]-18-[4-(3-methylbutyl)piperazin-1-yl]-14-oxooctadecanamide
CID 159006304
N-[2-[2-[2-[2-[3-[4-[(E)-5-methyl-4-oxohex-2-enyl]piperazin-1-yl]-3-oxopropoxy]ethoxy]ethoxy]ethoxy]ethyl]pentanamide
CID 126625211
2-methyl-N-[2-[2-[2-(2-piperazin-1-ylethoxy)ethoxy]ethoxy]ethyl]propanamide
CID 168837908
N-[3-(4-hydroxypiperidin-1-yl)propyl]-4-methylpentanamide
CID 111429541
tert-butyl 4-[3-[3-(2-methylpropoxy)propanoylamino]propyl]piperazine-1-carboxylate
CID 55867055
2-methyl-N-[2-[2-[2-[2-[4-(propan-2-ylamino)piperidin-1-yl]ethoxy]ethoxy]ethoxy]ethyl]propanamide
CID 138728006
5-methyl-1-[4-(4-methylpentyl)piperazin-1-yl]hexan-1-one
CID 171725805
ethane;2-methyl-N-[3-[4-[3-(prop-1-en-2-ylamino)propyl]piperazin-1-yl]propyl]propanamide
CID 170603278
2-methyl-N-[2-[2-(4-methylpentoxy)ethoxy]ethyl]propanamide
CID 138727288
2-[4-(carboxymethyl)-7-[2-[2-[3-(4-methylpentylamino)-3-oxopropoxy]ethylamino]-2-oxoethyl]-10-(2-oxoethyl)-1,4,7,10-tetrazacyclododec-1-yl]acetic acid
CID 177167111
2-methyl-N-[2-[2-[2-[2-[2-(5-methyl-2-oxohexoxy)ethoxy]ethoxy]ethoxy]ethoxy]ethyl]propanamide
CID 167576629

Frequently Asked Questions

What is the IUPAC name of 4-methyl-N-[3-[4-[3-[2-(2-methylpropanoylamino)ethoxy]propanoyl]piperazin-1-yl]propyl]pentanamide?
The IUPAC name of 4-methyl-N-[3-[4-[3-[2-(2-methylpropanoylamino)ethoxy]propanoyl]piperazin-1-yl]propyl]pentanamide (CID 168721590) is 4-methyl-N-[3-[4-[3-[2-(2-methylpropanoylamino)ethoxy]propanoyl]piperazin-1-yl]propyl]pentanamide.
What is the SMILES notation for 4-methyl-N-[3-[4-[3-[2-(2-methylpropanoylamino)ethoxy]propanoyl]piperazin-1-yl]propyl]pentanamide?
The canonical SMILES for 4-methyl-N-[3-[4-[3-[2-(2-methylpropanoylamino)ethoxy]propanoyl]piperazin-1-yl]propyl]pentanamide is CC(C)CCC(=O)NCCCN1CCN(C(=O)CCOCCNC(=O)C(C)C)CC1.
What is the InChIKey of 4-methyl-N-[3-[4-[3-[2-(2-methylpropanoylamino)ethoxy]propanoyl]piperazin-1-yl]propyl]pentanamide?
The InChIKey is MDGHOSRVQZJBLH-UHFFFAOYSA-N. The full InChI is InChI=1S/C22H42N4O4/c1-18(2)6-7-20(27)23-9-5-11-25-12-14-26(15-13-25)21(28)8-16-30-17-10-24-22(29)19(3)4/h18-19H,5-17H2,1-4H3,(H,23,27)(H,24,29).
What are the key properties of 4-methyl-N-[3-[4-[3-[2-(2-methylpropanoylamino)ethoxy]propanoyl]piperazin-1-yl]propyl]pentanamide?
4-methyl-N-[3-[4-[3-[2-(2-methylpropanoylamino)ethoxy]propanoyl]piperazin-1-yl]propyl]pentanamide has a molecular weight of 426.60 g/mol, XLogP of 1.25, 14 rotatable bonds, 2 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 4-methyl-N-[3-[4-[3-[2-(2-methylpropanoylamino)ethoxy]propanoyl]piperazin-1-yl]propyl]pentanamide is sourced from PubChem (CID 168721590), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).