2-[[3-(ethylamino)-2-methylpropanoyl]amino]-N,N,4-trimethylpentanamide

C14H29N3O2 — CID 62852895

IUPAC2-[[3-(ethylamino)-2-methylpropanoyl]amino]-N,N,4-trimethylpentanamide
SMILESCCNCC(C)C(=O)NC(CC(C)C)C(=O)N(C)C
InChIInChI=1S/C14H29N3O2/c1-7-15-9-11(4)13(18)16-12(8-10(2)3)14(19)17(5)6/h10-12,15H,7-9H2,1-6H3,(H,16,18)
InChIKeyFKISORFQHLHPKL-UHFFFAOYSA-N
MW271.40 g/mol
LogP0.85
Rot. Bonds8

About 2-[[3-(ethylamino)-2-methylpropanoyl]amino]-N,N,4-trimethylpentanamide

2-[[3-(ethylamino)-2-methylpropanoyl]amino]-N,N,4-trimethylpentanamide (PubChem CID 62852895) has the molecular formula C14H29N3O2 and a molecular weight of 271.40 g/mol. Its IUPAC name is 2-[[3-(ethylamino)-2-methylpropanoyl]amino]-N,N,4-trimethylpentanamide.

Molecular Properties

Compound Name2-[[3-(ethylamino)-2-methylpropanoyl]amino]-N,N,4-trimethylpentanamide
PubChem CID62852895
Molecular FormulaC14H29N3O2
Molecular Weight271.40 g/mol
Exact Mass271.23
IUPAC Name2-[[3-(ethylamino)-2-methylpropanoyl]amino]-N,N,4-trimethylpentanamide
SMILESCCNCC(C)C(=O)NC(CC(C)C)C(=O)N(C)C
InChIInChI=1S/C14H29N3O2/c1-7-15-9-11(4)13(18)16-12(8-10(2)3)14(19)17(5)6/h10-12,15H,7-9H2,1-6H3,(H,16,18)
InChIKeyFKISORFQHLHPKL-UHFFFAOYSA-N
XLogP0.85
TPSA61.44 Ų
H-Bond Donors2
H-Bond Acceptors3
Rotatable Bonds8
Heavy Atoms19
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500271.40
LogP ≤ 50.85
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 103

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Related Compounds

2-(2-aminobutanoylamino)-N,N,4-trimethylpentanamide
CID 43699936
2-[[(2R)-2-amino-3,3-dimethylbutanoyl]amino]-N,N,4-trimethylpentanamide
CID 103928611
3-(ethylamino)-2-methyl-N-propan-2-ylpropanamide
CID 62853402
N,N,4-trimethyl-2-[(2-piperidin-4-ylacetyl)amino]pentanamide
CID 61029586
2-[[3-(ethylamino)-2-methylpropanoyl]amino]pentanoic acid
CID 62837131
3-(ethylamino)-2-methyl-N-(2-methylpropyl)propanamide
CID 62853586
N,N,4-trimethyl-2-(2-methylpentan-3-ylamino)pentanamide
CID 43779357
2-(4-aminobutanoylamino)-N,N,4-trimethylpentanamide
CID 43699929
2-[(3-amino-2,2-dimethylpropanoyl)amino]-N,N,4-trimethylpentanamide
CID 115426173
2-(5-bromopentanoylamino)-N,N,4-trimethylpentanamide
CID 107908629
4-amino-2-[[3-(ethylamino)-2-methylpropanoyl]amino]-4-oxobutanoic acid
CID 55123175
2,2,2-trifluoroethyl N-[1-(dimethylamino)-4-methyl-1-oxopentan-2-yl]carbamate
CID 61068823

Frequently Asked Questions

What is the IUPAC name of 2-[[3-(ethylamino)-2-methylpropanoyl]amino]-N,N,4-trimethylpentanamide?
The IUPAC name of 2-[[3-(ethylamino)-2-methylpropanoyl]amino]-N,N,4-trimethylpentanamide (CID 62852895) is 2-[[3-(ethylamino)-2-methylpropanoyl]amino]-N,N,4-trimethylpentanamide.
What is the SMILES notation for 2-[[3-(ethylamino)-2-methylpropanoyl]amino]-N,N,4-trimethylpentanamide?
The canonical SMILES for 2-[[3-(ethylamino)-2-methylpropanoyl]amino]-N,N,4-trimethylpentanamide is CCNCC(C)C(=O)NC(CC(C)C)C(=O)N(C)C.
What is the InChIKey of 2-[[3-(ethylamino)-2-methylpropanoyl]amino]-N,N,4-trimethylpentanamide?
The InChIKey is FKISORFQHLHPKL-UHFFFAOYSA-N. The full InChI is InChI=1S/C14H29N3O2/c1-7-15-9-11(4)13(18)16-12(8-10(2)3)14(19)17(5)6/h10-12,15H,7-9H2,1-6H3,(H,16,18).
What are the key properties of 2-[[3-(ethylamino)-2-methylpropanoyl]amino]-N,N,4-trimethylpentanamide?
2-[[3-(ethylamino)-2-methylpropanoyl]amino]-N,N,4-trimethylpentanamide has a molecular weight of 271.40 g/mol, XLogP of 0.85, 8 rotatable bonds, 2 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 2-[[3-(ethylamino)-2-methylpropanoyl]amino]-N,N,4-trimethylpentanamide is sourced from PubChem (CID 62852895), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).