2-[[2-[(3-hydroxy-2,2-dimethylpropyl)amino]acetyl]amino]-N,4-dimethylpentanamide

C14H29N3O3 — CID 142030552

IUPAC2-[[2-[(3-hydroxy-2,2-dimethylpropyl)amino]acetyl]amino]-N,4-dimethylpentanamide
SMILESCNC(=O)C(CC(C)C)NC(=O)CNCC(C)(C)CO
InChIInChI=1S/C14H29N3O3/c1-10(2)6-11(13(20)15-5)17-12(19)7-16-8-14(3,4)9-18/h10-11,16,18H,6-9H2,1-5H3,(H,15,20)(H,17,19)
InChIKeyCFXCQJZCLMUIJB-UHFFFAOYSA-N
MW287.40 g/mol
LogP-0.13
Rot. Bonds9

About 2-[[2-[(3-hydroxy-2,2-dimethylpropyl)amino]acetyl]amino]-N,4-dimethylpentanamide

2-[[2-[(3-hydroxy-2,2-dimethylpropyl)amino]acetyl]amino]-N,4-dimethylpentanamide (PubChem CID 142030552) has the molecular formula C14H29N3O3 and a molecular weight of 287.40 g/mol. Its IUPAC name is 2-[[2-[(3-hydroxy-2,2-dimethylpropyl)amino]acetyl]amino]-N,4-dimethylpentanamide.

Molecular Properties

Compound Name2-[[2-[(3-hydroxy-2,2-dimethylpropyl)amino]acetyl]amino]-N,4-dimethylpentanamide
PubChem CID142030552
Molecular FormulaC14H29N3O3
Molecular Weight287.40 g/mol
Exact Mass287.22
IUPAC Name2-[[2-[(3-hydroxy-2,2-dimethylpropyl)amino]acetyl]amino]-N,4-dimethylpentanamide
SMILESCNC(=O)C(CC(C)C)NC(=O)CNCC(C)(C)CO
InChIInChI=1S/C14H29N3O3/c1-10(2)6-11(13(20)15-5)17-12(19)7-16-8-14(3,4)9-18/h10-11,16,18H,6-9H2,1-5H3,(H,15,20)(H,17,19)
InChIKeyCFXCQJZCLMUIJB-UHFFFAOYSA-N
XLogP-0.13
TPSA90.46 Ų
H-Bond Donors4
H-Bond Acceptors4
Rotatable Bonds9
Heavy Atoms20
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500287.40
LogP ≤ 5-0.13
H-Bond Donors ≤ 54
H-Bond Acceptors ≤ 104

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Frequently Asked Questions

What is the IUPAC name of 2-[[2-[(3-hydroxy-2,2-dimethylpropyl)amino]acetyl]amino]-N,4-dimethylpentanamide?
The IUPAC name of 2-[[2-[(3-hydroxy-2,2-dimethylpropyl)amino]acetyl]amino]-N,4-dimethylpentanamide (CID 142030552) is 2-[[2-[(3-hydroxy-2,2-dimethylpropyl)amino]acetyl]amino]-N,4-dimethylpentanamide.
What is the SMILES notation for 2-[[2-[(3-hydroxy-2,2-dimethylpropyl)amino]acetyl]amino]-N,4-dimethylpentanamide?
The canonical SMILES for 2-[[2-[(3-hydroxy-2,2-dimethylpropyl)amino]acetyl]amino]-N,4-dimethylpentanamide is CNC(=O)C(CC(C)C)NC(=O)CNCC(C)(C)CO.
What is the InChIKey of 2-[[2-[(3-hydroxy-2,2-dimethylpropyl)amino]acetyl]amino]-N,4-dimethylpentanamide?
The InChIKey is CFXCQJZCLMUIJB-UHFFFAOYSA-N. The full InChI is InChI=1S/C14H29N3O3/c1-10(2)6-11(13(20)15-5)17-12(19)7-16-8-14(3,4)9-18/h10-11,16,18H,6-9H2,1-5H3,(H,15,20)(H,17,19).
What are the key properties of 2-[[2-[(3-hydroxy-2,2-dimethylpropyl)amino]acetyl]amino]-N,4-dimethylpentanamide?
2-[[2-[(3-hydroxy-2,2-dimethylpropyl)amino]acetyl]amino]-N,4-dimethylpentanamide has a molecular weight of 287.40 g/mol, XLogP of -0.13, 9 rotatable bonds, 4 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 2-[[2-[(3-hydroxy-2,2-dimethylpropyl)amino]acetyl]amino]-N,4-dimethylpentanamide is sourced from PubChem (CID 142030552), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).