N-[2-[[1-(hydroxymethyl)cyclopropyl]methylamino]-2-oxoethyl]-2,2-dimethylpropanamide

C12H22N2O3 — CID 80711591

IUPACN-[2-[[1-(hydroxymethyl)cyclopropyl]methylamino]-2-oxoethyl]-2,2-dimethylpropanamide
SMILESCC(C)(C)C(=O)NCC(=O)NCC1(CO)CC1
InChIInChI=1S/C12H22N2O3/c1-11(2,3)10(17)13-6-9(16)14-7-12(8-15)4-5-12/h15H,4-8H2,1-3H3,(H,13,17)(H,14,16)
InChIKeyDXTUBOXPIMWSAP-UHFFFAOYSA-N
MW242.32 g/mol
LogP0.04
Rot. Bonds5

About N-[2-[[1-(hydroxymethyl)cyclopropyl]methylamino]-2-oxoethyl]-2,2-dimethylpropanamide

N-[2-[[1-(hydroxymethyl)cyclopropyl]methylamino]-2-oxoethyl]-2,2-dimethylpropanamide (PubChem CID 80711591) has the molecular formula C12H22N2O3 and a molecular weight of 242.32 g/mol. Its IUPAC name is N-[2-[[1-(hydroxymethyl)cyclopropyl]methylamino]-2-oxoethyl]-2,2-dimethylpropanamide.

Molecular Properties

Compound NameN-[2-[[1-(hydroxymethyl)cyclopropyl]methylamino]-2-oxoethyl]-2,2-dimethylpropanamide
PubChem CID80711591
Molecular FormulaC12H22N2O3
Molecular Weight242.32 g/mol
Exact Mass242.16
IUPAC NameN-[2-[[1-(hydroxymethyl)cyclopropyl]methylamino]-2-oxoethyl]-2,2-dimethylpropanamide
SMILESCC(C)(C)C(=O)NCC(=O)NCC1(CO)CC1
InChIInChI=1S/C12H22N2O3/c1-11(2,3)10(17)13-6-9(16)14-7-12(8-15)4-5-12/h15H,4-8H2,1-3H3,(H,13,17)(H,14,16)
InChIKeyDXTUBOXPIMWSAP-UHFFFAOYSA-N
XLogP0.04
TPSA78.43 Ų
H-Bond Donors3
H-Bond Acceptors3
Rotatable Bonds5
Heavy Atoms17
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500242.32
LogP ≤ 50.04
H-Bond Donors ≤ 53
H-Bond Acceptors ≤ 103

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Related Compounds

N-[2-[[4-(methoxymethyl)piperidin-4-yl]methylamino]-2-oxoethyl]-2,2-dimethylpropanamide
CID 120891836
N-[2-[[4-(methoxymethyl)piperidin-4-yl]methylamino]-2-oxoethyl]-2,2-dimethylpropanamide;hydrochloride
CID 120891835
1-[[2-(2,2-dimethylpropanoylamino)acetyl]amino]cyclopentane-1-carboxylic acid
CID 43351064
2-amino-N-[2-[[1-(hydroxymethyl)cyclohexyl]methylamino]-2-oxoethyl]acetamide
CID 103966753
N-[[1-(hydroxymethyl)cyclopentyl]methyl]-2-[(2-methylpropan-2-yl)oxy]acetamide
CID 112603229
1-[[1-(hydroxymethyl)cyclopropyl]methyl]-3-methylurea
CID 79461046
N-[[1-(hydroxymethyl)cyclopropyl]methyl]-3-methoxypropanamide
CID 80708553
ethane;N-[[1-(hydroxymethyl)cyclobutyl]methyl]propanamide
CID 171523205
N-[[1-(hydroxymethyl)cyclohexyl]methyl]-2-(2,2,2-trifluoroethylamino)acetamide
CID 112699710
N-[2-[[1-(aminomethyl)cyclopentyl]amino]-2-oxoethyl]-2,2-dimethylpropanamide;hydrochloride
CID 119566804
2-amino-3,3,3-trifluoro-N-[[1-(hydroxymethyl)cyclopentyl]methyl]-2-methylpropanamide
CID 113293905
3-(4-tert-butylphenyl)-N-[[1-(hydroxymethyl)cyclopropyl]methyl]propanamide
CID 110416896

Frequently Asked Questions

What is the IUPAC name of N-[2-[[1-(hydroxymethyl)cyclopropyl]methylamino]-2-oxoethyl]-2,2-dimethylpropanamide?
The IUPAC name of N-[2-[[1-(hydroxymethyl)cyclopropyl]methylamino]-2-oxoethyl]-2,2-dimethylpropanamide (CID 80711591) is N-[2-[[1-(hydroxymethyl)cyclopropyl]methylamino]-2-oxoethyl]-2,2-dimethylpropanamide.
What is the SMILES notation for N-[2-[[1-(hydroxymethyl)cyclopropyl]methylamino]-2-oxoethyl]-2,2-dimethylpropanamide?
The canonical SMILES for N-[2-[[1-(hydroxymethyl)cyclopropyl]methylamino]-2-oxoethyl]-2,2-dimethylpropanamide is CC(C)(C)C(=O)NCC(=O)NCC1(CO)CC1.
What is the InChIKey of N-[2-[[1-(hydroxymethyl)cyclopropyl]methylamino]-2-oxoethyl]-2,2-dimethylpropanamide?
The InChIKey is DXTUBOXPIMWSAP-UHFFFAOYSA-N. The full InChI is InChI=1S/C12H22N2O3/c1-11(2,3)10(17)13-6-9(16)14-7-12(8-15)4-5-12/h15H,4-8H2,1-3H3,(H,13,17)(H,14,16).
What are the key properties of N-[2-[[1-(hydroxymethyl)cyclopropyl]methylamino]-2-oxoethyl]-2,2-dimethylpropanamide?
N-[2-[[1-(hydroxymethyl)cyclopropyl]methylamino]-2-oxoethyl]-2,2-dimethylpropanamide has a molecular weight of 242.32 g/mol, XLogP of 0.04, 5 rotatable bonds, 3 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for N-[2-[[1-(hydroxymethyl)cyclopropyl]methylamino]-2-oxoethyl]-2,2-dimethylpropanamide is sourced from PubChem (CID 80711591), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).