3-chloro-2-methyl-N-[(2,2,3,3-tetramethylcyclopropyl)methyl]propanamide

C12H22ClNO — CID 79358044

IUPAC3-chloro-2-methyl-N-[(2,2,3,3-tetramethylcyclopropyl)methyl]propanamide
SMILESCC(CCl)C(=O)NCC1C(C)(C)C1(C)C
InChIInChI=1S/C12H22ClNO/c1-8(6-13)10(15)14-7-9-11(2,3)12(9,4)5/h8-9H,6-7H2,1-5H3,(H,14,15)
InChIKeyUUOAWIMMVIBGJD-UHFFFAOYSA-N
MW231.77 g/mol
LogP2.66
Rot. Bonds4

About 3-chloro-2-methyl-N-[(2,2,3,3-tetramethylcyclopropyl)methyl]propanamide

3-chloro-2-methyl-N-[(2,2,3,3-tetramethylcyclopropyl)methyl]propanamide (PubChem CID 79358044) has the molecular formula C12H22ClNO and a molecular weight of 231.77 g/mol. Its IUPAC name is 3-chloro-2-methyl-N-[(2,2,3,3-tetramethylcyclopropyl)methyl]propanamide.

Molecular Properties

Compound Name3-chloro-2-methyl-N-[(2,2,3,3-tetramethylcyclopropyl)methyl]propanamide
PubChem CID79358044
Molecular FormulaC12H22ClNO
Molecular Weight231.77 g/mol
Exact Mass231.14
IUPAC Name3-chloro-2-methyl-N-[(2,2,3,3-tetramethylcyclopropyl)methyl]propanamide
SMILESCC(CCl)C(=O)NCC1C(C)(C)C1(C)C
InChIInChI=1S/C12H22ClNO/c1-8(6-13)10(15)14-7-9-11(2,3)12(9,4)5/h8-9H,6-7H2,1-5H3,(H,14,15)
InChIKeyUUOAWIMMVIBGJD-UHFFFAOYSA-N
XLogP2.66
TPSA29.10 Ų
H-Bond Donors1
H-Bond Acceptors1
Rotatable Bonds4
Heavy Atoms15
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500231.77
LogP ≤ 52.66
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 101

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'alkyl_halide', 'substructure': 'N/A'}

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Related Compounds

(2S,3S)-2-amino-3-methyl-N-[(2,2,3,3-tetramethylcyclopropyl)methyl]pentanamide
CID 79363377
3-chloro-N-[(2,2-dimethyl-1,3-dioxolan-4-yl)methyl]-2-methylpropanamide
CID 107389066
2-(aminomethyl)-3-methyl-N-[(2,2,3,3-tetramethylcyclopropyl)methyl]butanamide
CID 79358528
2-carbamothioyl-3-methyl-N-[(2,2,3,3-tetramethylcyclopropyl)methyl]butanamide
CID 79362463
(2R)-2-amino-3,3-dimethyl-N-[(2,2,3,3-tetramethylcyclopropyl)methyl]butanamide
CID 103930174
3-chloro-2-methyl-N-(3-methylbutyl)propanamide
CID 62726569
2-(N'-hydroxycarbamimidoyl)-N-[(2,2,3,3-tetramethylcyclopropyl)methyl]butanamide
CID 79350697
3-chloro-N-[3-(dimethylamino)propyl]-2-methylpropanamide
CID 62729377
3-amino-N-[(2,2,3,3-tetramethylcyclopropyl)methyl]butanamide
CID 79362858
4-hydroxy-N-[(2,2,3,3-tetramethylcyclopropyl)methyl]pentanamide
CID 79356434
2-(aminomethyl)-N-[(2,2,3,3-tetramethylcyclopropyl)methyl]pentanamide
CID 79358922
3-chloro-N-(2-cyclopropyl-2-hydroxyethyl)-2-methylpropanamide
CID 63296375

Frequently Asked Questions

What is the IUPAC name of 3-chloro-2-methyl-N-[(2,2,3,3-tetramethylcyclopropyl)methyl]propanamide?
The IUPAC name of 3-chloro-2-methyl-N-[(2,2,3,3-tetramethylcyclopropyl)methyl]propanamide (CID 79358044) is 3-chloro-2-methyl-N-[(2,2,3,3-tetramethylcyclopropyl)methyl]propanamide.
What is the SMILES notation for 3-chloro-2-methyl-N-[(2,2,3,3-tetramethylcyclopropyl)methyl]propanamide?
The canonical SMILES for 3-chloro-2-methyl-N-[(2,2,3,3-tetramethylcyclopropyl)methyl]propanamide is CC(CCl)C(=O)NCC1C(C)(C)C1(C)C.
What is the InChIKey of 3-chloro-2-methyl-N-[(2,2,3,3-tetramethylcyclopropyl)methyl]propanamide?
The InChIKey is UUOAWIMMVIBGJD-UHFFFAOYSA-N. The full InChI is InChI=1S/C12H22ClNO/c1-8(6-13)10(15)14-7-9-11(2,3)12(9,4)5/h8-9H,6-7H2,1-5H3,(H,14,15).
What are the key properties of 3-chloro-2-methyl-N-[(2,2,3,3-tetramethylcyclopropyl)methyl]propanamide?
3-chloro-2-methyl-N-[(2,2,3,3-tetramethylcyclopropyl)methyl]propanamide has a molecular weight of 231.77 g/mol, XLogP of 2.66, 4 rotatable bonds, 1 hydrogen bond donors, and 1 hydrogen bond acceptors.
Where does this data come from?
All data for 3-chloro-2-methyl-N-[(2,2,3,3-tetramethylcyclopropyl)methyl]propanamide is sourced from PubChem (CID 79358044), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).