5-cyclopentyl-3-N-[[[5-(dimethylamino)-2,4-dimethyl-5-oxopentanoyl]amino]methyl]-1-N,1-N,7-N,7-N,1-pentamethyloctane-1,3,7-tricarboxamide

C31H57N5O5 — CID 154591655

IUPAC5-cyclopentyl-3-N-[[[5-(dimethylamino)-2,4-dimethyl-5-oxopentanoyl]amino]methyl]-1-N,1-N,7-N,7-N,1-pentamethyloctane-1,3,7-tricarboxamide
SMILESCC(CC(C)C(=O)N(C)C)C(=O)NCNC(=O)C(CC(C)C(=O)N(C)C)CC(CC(C)C(=O)N(C)C)C1CCCC1
InChIInChI=1S/C31H57N5O5/c1-20(15-21(2)29(39)34(5)6)27(37)32-19-33-28(38)26(17-23(4)31(41)36(9)10)18-25(24-13-11-12-14-24)16-22(3)30(40)35(7)8/h20-26H,11-19H2,1-10H3,(H,32,37)(H,33,38)
InChIKeyCOPXFVURLCRIIN-UHFFFAOYSA-N
MW579.83 g/mol
LogP2.97
Rot. Bonds16

About 5-cyclopentyl-3-N-[[[5-(dimethylamino)-2,4-dimethyl-5-oxopentanoyl]amino]methyl]-1-N,1-N,7-N,7-N,1-pentamethyloctane-1,3,7-tricarboxamide

5-cyclopentyl-3-N-[[[5-(dimethylamino)-2,4-dimethyl-5-oxopentanoyl]amino]methyl]-1-N,1-N,7-N,7-N,1-pentamethyloctane-1,3,7-tricarboxamide (PubChem CID 154591655) has the molecular formula C31H57N5O5 and a molecular weight of 579.83 g/mol. Its IUPAC name is 5-cyclopentyl-3-N-[[[5-(dimethylamino)-2,4-dimethyl-5-oxopentanoyl]amino]methyl]-1-N,1-N,7-N,7-N,1-pentamethyloctane-1,3,7-tricarboxamide.

Molecular Properties

Compound Name5-cyclopentyl-3-N-[[[5-(dimethylamino)-2,4-dimethyl-5-oxopentanoyl]amino]methyl]-1-N,1-N,7-N,7-N,1-pentamethyloctane-1,3,7-tricarboxamide
PubChem CID154591655
Molecular FormulaC31H57N5O5
Molecular Weight579.83 g/mol
Exact Mass579.44
IUPAC Name5-cyclopentyl-3-N-[[[5-(dimethylamino)-2,4-dimethyl-5-oxopentanoyl]amino]methyl]-1-N,1-N,7-N,7-N,1-pentamethyloctane-1,3,7-tricarboxamide
SMILESCC(CC(C)C(=O)N(C)C)C(=O)NCNC(=O)C(CC(C)C(=O)N(C)C)CC(CC(C)C(=O)N(C)C)C1CCCC1
InChIInChI=1S/C31H57N5O5/c1-20(15-21(2)29(39)34(5)6)27(37)32-19-33-28(38)26(17-23(4)31(41)36(9)10)18-25(24-13-11-12-14-24)16-22(3)30(40)35(7)8/h20-26H,11-19H2,1-10H3,(H,32,37)(H,33,38)
InChIKeyCOPXFVURLCRIIN-UHFFFAOYSA-N
XLogP2.97
TPSA119.13 Ų
H-Bond Donors2
H-Bond Acceptors5
Rotatable Bonds16
Heavy Atoms41
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500579.83
LogP ≤ 52.97
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 105

Computed Properties (RDKit)

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

Analyze 5-cyclopentyl-3-N-[[[5-(dimethylamino)-2,4-dimethyl-5-oxopentanoyl]amino]methyl]-1-N,1-N,7-N,7-N,1-pentamethyloctane-1,3,7-tricarboxamide with MolForge

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Related Compounds

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2-[3-(cyclopentylmethylamino)-2-methyl-3-oxopropyl]-4-methylpentanedioic acid
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3-cyclopentyl-N-[(2S)-2-(dimethylamino)propyl]-2-methylpropanamide
CID 122152789
2-(cyclohexylmethylamino)-N,N,4-trimethylpentanamide
CID 43674999
(2R)-2-(1-cyclohexylethylamino)-N,N-dimethylpropanamide;hydrochloride
CID 103740432
N-cyclopentyl-2-methylbutanamide;methane
CID 159941857
4-cyclopentyl-4-(dimethylamino)-2-methylbutanoic acid
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CID 119850509
2-[(1,2-dimethylpiperidin-4-yl)amino]-N,N,4-trimethylpentanamide
CID 81334194

Frequently Asked Questions

What is the IUPAC name of 5-cyclopentyl-3-N-[[[5-(dimethylamino)-2,4-dimethyl-5-oxopentanoyl]amino]methyl]-1-N,1-N,7-N,7-N,1-pentamethyloctane-1,3,7-tricarboxamide?
The IUPAC name of 5-cyclopentyl-3-N-[[[5-(dimethylamino)-2,4-dimethyl-5-oxopentanoyl]amino]methyl]-1-N,1-N,7-N,7-N,1-pentamethyloctane-1,3,7-tricarboxamide (CID 154591655) is 5-cyclopentyl-3-N-[[[5-(dimethylamino)-2,4-dimethyl-5-oxopentanoyl]amino]methyl]-1-N,1-N,7-N,7-N,1-pentamethyloctane-1,3,7-tricarboxamide.
What is the SMILES notation for 5-cyclopentyl-3-N-[[[5-(dimethylamino)-2,4-dimethyl-5-oxopentanoyl]amino]methyl]-1-N,1-N,7-N,7-N,1-pentamethyloctane-1,3,7-tricarboxamide?
The canonical SMILES for 5-cyclopentyl-3-N-[[[5-(dimethylamino)-2,4-dimethyl-5-oxopentanoyl]amino]methyl]-1-N,1-N,7-N,7-N,1-pentamethyloctane-1,3,7-tricarboxamide is CC(CC(C)C(=O)N(C)C)C(=O)NCNC(=O)C(CC(C)C(=O)N(C)C)CC(CC(C)C(=O)N(C)C)C1CCCC1.
What is the InChIKey of 5-cyclopentyl-3-N-[[[5-(dimethylamino)-2,4-dimethyl-5-oxopentanoyl]amino]methyl]-1-N,1-N,7-N,7-N,1-pentamethyloctane-1,3,7-tricarboxamide?
The InChIKey is COPXFVURLCRIIN-UHFFFAOYSA-N. The full InChI is InChI=1S/C31H57N5O5/c1-20(15-21(2)29(39)34(5)6)27(37)32-19-33-28(38)26(17-23(4)31(41)36(9)10)18-25(24-13-11-12-14-24)16-22(3)30(40)35(7)8/h20-26H,11-19H2,1-10H3,(H,32,37)(H,33,38).
What are the key properties of 5-cyclopentyl-3-N-[[[5-(dimethylamino)-2,4-dimethyl-5-oxopentanoyl]amino]methyl]-1-N,1-N,7-N,7-N,1-pentamethyloctane-1,3,7-tricarboxamide?
5-cyclopentyl-3-N-[[[5-(dimethylamino)-2,4-dimethyl-5-oxopentanoyl]amino]methyl]-1-N,1-N,7-N,7-N,1-pentamethyloctane-1,3,7-tricarboxamide has a molecular weight of 579.83 g/mol, XLogP of 2.97, 16 rotatable bonds, 2 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 5-cyclopentyl-3-N-[[[5-(dimethylamino)-2,4-dimethyl-5-oxopentanoyl]amino]methyl]-1-N,1-N,7-N,7-N,1-pentamethyloctane-1,3,7-tricarboxamide is sourced from PubChem (CID 154591655), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).