N-cyclopropyl-N-ethyl-2-[[1-hydroxy-2-(hydroxymethyl)butan-2-yl]amino]acetamide

C12H24N2O3 — CID 107865347

IUPACN-cyclopropyl-N-ethyl-2-[[1-hydroxy-2-(hydroxymethyl)butan-2-yl]amino]acetamide
SMILESCCN(C(=O)CNC(CC)(CO)CO)C1CC1
InChIInChI=1S/C12H24N2O3/c1-3-12(8-15,9-16)13-7-11(17)14(4-2)10-5-6-10/h10,13,15-16H,3-9H2,1-2H3
InChIKeyOBTVSFDSYNIIAG-UHFFFAOYSA-N
MW244.33 g/mol
LogP-0.28
Rot. Bonds8

About N-cyclopropyl-N-ethyl-2-[[1-hydroxy-2-(hydroxymethyl)butan-2-yl]amino]acetamide

N-cyclopropyl-N-ethyl-2-[[1-hydroxy-2-(hydroxymethyl)butan-2-yl]amino]acetamide (PubChem CID 107865347) has the molecular formula C12H24N2O3 and a molecular weight of 244.33 g/mol. Its IUPAC name is N-cyclopropyl-N-ethyl-2-[[1-hydroxy-2-(hydroxymethyl)butan-2-yl]amino]acetamide.

Molecular Properties

Compound NameN-cyclopropyl-N-ethyl-2-[[1-hydroxy-2-(hydroxymethyl)butan-2-yl]amino]acetamide
PubChem CID107865347
Molecular FormulaC12H24N2O3
Molecular Weight244.33 g/mol
Exact Mass244.18
IUPAC NameN-cyclopropyl-N-ethyl-2-[[1-hydroxy-2-(hydroxymethyl)butan-2-yl]amino]acetamide
SMILESCCN(C(=O)CNC(CC)(CO)CO)C1CC1
InChIInChI=1S/C12H24N2O3/c1-3-12(8-15,9-16)13-7-11(17)14(4-2)10-5-6-10/h10,13,15-16H,3-9H2,1-2H3
InChIKeyOBTVSFDSYNIIAG-UHFFFAOYSA-N
XLogP-0.28
TPSA72.80 Ų
H-Bond Donors3
H-Bond Acceptors4
Rotatable Bonds8
Heavy Atoms17
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500244.33
LogP ≤ 5-0.28
H-Bond Donors ≤ 53
H-Bond Acceptors ≤ 104

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Related Compounds

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CID 43465978
N-cyclopropyl-2-(cyclopropylmethylamino)-N-ethylacetamide
CID 60843358
N-cyclohexyl-N-ethyl-2-(ethylamino)acetamide
CID 60686638
3-[cyclopropyl(ethyl)amino]-3-oxopropanoic acid
CID 62231745
N-cyclopropyl-N-ethyl-2-(3-methylbutan-2-ylamino)acetamide
CID 61488088
N-cyclopropyl-N-ethyl-2-[(3-hydroxy-2-methylpropyl)amino]acetamide
CID 65036523
N-cyclopropyl-2-[[3-(dimethylamino)-2,2-dimethylpropyl]amino]-N-ethylacetamide
CID 54957022
N-cyclopropyl-N-ethyl-2-(2,2,3,3-tetrafluoropropylamino)acetamide
CID 114169288
2-(4-acetamidoanilino)-N-cyclopropyl-N-ethylacetamide
CID 61488338
N-cyclopropyl-N-ethyl-2-[(3-hydroxycyclobutyl)methylamino]acetamide
CID 66006581
N-cyclopropyl-N-ethyl-2-(3-methylbutylamino)acetamide
CID 60975211
3-[[2-[cyclopropyl(ethyl)amino]-2-oxoethyl]amino]-N,N-diethylpropanamide
CID 112685323

Frequently Asked Questions

What is the IUPAC name of N-cyclopropyl-N-ethyl-2-[[1-hydroxy-2-(hydroxymethyl)butan-2-yl]amino]acetamide?
The IUPAC name of N-cyclopropyl-N-ethyl-2-[[1-hydroxy-2-(hydroxymethyl)butan-2-yl]amino]acetamide (CID 107865347) is N-cyclopropyl-N-ethyl-2-[[1-hydroxy-2-(hydroxymethyl)butan-2-yl]amino]acetamide.
What is the SMILES notation for N-cyclopropyl-N-ethyl-2-[[1-hydroxy-2-(hydroxymethyl)butan-2-yl]amino]acetamide?
The canonical SMILES for N-cyclopropyl-N-ethyl-2-[[1-hydroxy-2-(hydroxymethyl)butan-2-yl]amino]acetamide is CCN(C(=O)CNC(CC)(CO)CO)C1CC1.
What is the InChIKey of N-cyclopropyl-N-ethyl-2-[[1-hydroxy-2-(hydroxymethyl)butan-2-yl]amino]acetamide?
The InChIKey is OBTVSFDSYNIIAG-UHFFFAOYSA-N. The full InChI is InChI=1S/C12H24N2O3/c1-3-12(8-15,9-16)13-7-11(17)14(4-2)10-5-6-10/h10,13,15-16H,3-9H2,1-2H3.
What are the key properties of N-cyclopropyl-N-ethyl-2-[[1-hydroxy-2-(hydroxymethyl)butan-2-yl]amino]acetamide?
N-cyclopropyl-N-ethyl-2-[[1-hydroxy-2-(hydroxymethyl)butan-2-yl]amino]acetamide has a molecular weight of 244.33 g/mol, XLogP of -0.28, 8 rotatable bonds, 3 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for N-cyclopropyl-N-ethyl-2-[[1-hydroxy-2-(hydroxymethyl)butan-2-yl]amino]acetamide is sourced from PubChem (CID 107865347), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).