2-[ethyl-[2-[2-hydroxyethyl(propan-2-yl)amino]acetyl]amino]-N-propan-2-ylacetamide

C14H29N3O3 — CID 60696906

IUPAC2-[ethyl-[2-[2-hydroxyethyl(propan-2-yl)amino]acetyl]amino]-N-propan-2-ylacetamide
SMILESCCN(CC(=O)NC(C)C)C(=O)CN(CCO)C(C)C
InChIInChI=1S/C14H29N3O3/c1-6-16(9-13(19)15-11(2)3)14(20)10-17(7-8-18)12(4)5/h11-12,18H,6-10H2,1-5H3,(H,15,19)
InChIKeyGYCXHZRSMOCCKY-UHFFFAOYSA-N
MW287.40 g/mol
LogP0.06
Rot. Bonds9

About 2-[ethyl-[2-[2-hydroxyethyl(propan-2-yl)amino]acetyl]amino]-N-propan-2-ylacetamide

2-[ethyl-[2-[2-hydroxyethyl(propan-2-yl)amino]acetyl]amino]-N-propan-2-ylacetamide (PubChem CID 60696906) has the molecular formula C14H29N3O3 and a molecular weight of 287.40 g/mol. Its IUPAC name is 2-[ethyl-[2-[2-hydroxyethyl(propan-2-yl)amino]acetyl]amino]-N-propan-2-ylacetamide.

Molecular Properties

Compound Name2-[ethyl-[2-[2-hydroxyethyl(propan-2-yl)amino]acetyl]amino]-N-propan-2-ylacetamide
PubChem CID60696906
Molecular FormulaC14H29N3O3
Molecular Weight287.40 g/mol
Exact Mass287.22
IUPAC Name2-[ethyl-[2-[2-hydroxyethyl(propan-2-yl)amino]acetyl]amino]-N-propan-2-ylacetamide
SMILESCCN(CC(=O)NC(C)C)C(=O)CN(CCO)C(C)C
InChIInChI=1S/C14H29N3O3/c1-6-16(9-13(19)15-11(2)3)14(20)10-17(7-8-18)12(4)5/h11-12,18H,6-10H2,1-5H3,(H,15,19)
InChIKeyGYCXHZRSMOCCKY-UHFFFAOYSA-N
XLogP0.06
TPSA72.88 Ų
H-Bond Donors2
H-Bond Acceptors4
Rotatable Bonds9
Heavy Atoms20
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500287.40
LogP ≤ 50.06
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 104

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Related Compounds

2-[2-hydroxyethyl(propan-2-yl)amino]-N-(3-methylbutan-2-yl)acetamide
CID 60691834
N-ethyl-N-[2-oxo-2-(propan-2-ylamino)ethyl]-3-(propan-2-ylamino)propanamide
CID 54869110
2-[carbamoyl(ethyl)amino]-N-propan-2-ylacetamide
CID 60703127
ethyl N-ethyl-N-[2-oxo-2-(propan-2-ylamino)ethyl]carbamate
CID 60652174
3-amino-N-ethyl-2-methyl-N-[2-oxo-2-(propan-2-ylamino)ethyl]butanamide
CID 113416182
2-[ethyl-[2-[(2-hydroxy-2-methylpropyl)-methylamino]acetyl]amino]-N-propan-2-ylacetamide
CID 79038170
7-amino-N-ethyl-N-[2-oxo-2-(propan-2-ylamino)ethyl]heptanamide
CID 54869086
N-ethyl-2-[2-hydroxyethyl(pentan-3-yl)amino]-N-(2-methylprop-2-enyl)acetamide
CID 62015880
2-(azetidin-3-yl)-N-ethyl-N-[2-oxo-2-(propan-2-ylamino)ethyl]acetamide
CID 64610759
(2R)-2-[[ethyl-[2-oxo-2-(propan-2-ylamino)ethyl]carbamoyl]amino]-4-hydroxybutanoic acid
CID 107826992
(2R)-2-amino-N-ethyl-3-methyl-N-[2-oxo-2-(propan-2-ylamino)ethyl]butanamide
CID 79012433
N-(ethylcarbamoyl)-2-[2-hydroxyethyl(propan-2-yl)amino]acetamide
CID 60691915

Frequently Asked Questions

What is the IUPAC name of 2-[ethyl-[2-[2-hydroxyethyl(propan-2-yl)amino]acetyl]amino]-N-propan-2-ylacetamide?
The IUPAC name of 2-[ethyl-[2-[2-hydroxyethyl(propan-2-yl)amino]acetyl]amino]-N-propan-2-ylacetamide (CID 60696906) is 2-[ethyl-[2-[2-hydroxyethyl(propan-2-yl)amino]acetyl]amino]-N-propan-2-ylacetamide.
What is the SMILES notation for 2-[ethyl-[2-[2-hydroxyethyl(propan-2-yl)amino]acetyl]amino]-N-propan-2-ylacetamide?
The canonical SMILES for 2-[ethyl-[2-[2-hydroxyethyl(propan-2-yl)amino]acetyl]amino]-N-propan-2-ylacetamide is CCN(CC(=O)NC(C)C)C(=O)CN(CCO)C(C)C.
What is the InChIKey of 2-[ethyl-[2-[2-hydroxyethyl(propan-2-yl)amino]acetyl]amino]-N-propan-2-ylacetamide?
The InChIKey is GYCXHZRSMOCCKY-UHFFFAOYSA-N. The full InChI is InChI=1S/C14H29N3O3/c1-6-16(9-13(19)15-11(2)3)14(20)10-17(7-8-18)12(4)5/h11-12,18H,6-10H2,1-5H3,(H,15,19).
What are the key properties of 2-[ethyl-[2-[2-hydroxyethyl(propan-2-yl)amino]acetyl]amino]-N-propan-2-ylacetamide?
2-[ethyl-[2-[2-hydroxyethyl(propan-2-yl)amino]acetyl]amino]-N-propan-2-ylacetamide has a molecular weight of 287.40 g/mol, XLogP of 0.06, 9 rotatable bonds, 2 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 2-[ethyl-[2-[2-hydroxyethyl(propan-2-yl)amino]acetyl]amino]-N-propan-2-ylacetamide is sourced from PubChem (CID 60696906), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).