(2R)-2-chloro-N,N-bis(2-methylpropyl)propanamide

C11H22ClNO — CID 92660582

IUPAC(2R)-2-chloro-N,N-bis(2-methylpropyl)propanamide
SMILESCC(C)CN(CC(C)C)C(=O)[C@@H](C)Cl
InChIInChI=1S/C11H22ClNO/c1-8(2)6-13(7-9(3)4)11(14)10(5)12/h8-10H,6-7H2,1-5H3/t10-/m1/s1
InChIKeyBDIBTPBKUQRQEK-SNVBAGLBSA-N
MW219.76 g/mol
LogP2.75
Rot. Bonds5

About (2R)-2-chloro-N,N-bis(2-methylpropyl)propanamide

(2R)-2-chloro-N,N-bis(2-methylpropyl)propanamide (PubChem CID 92660582) has the molecular formula C11H22ClNO and a molecular weight of 219.76 g/mol. Its IUPAC name is (2R)-2-chloro-N,N-bis(2-methylpropyl)propanamide.

Molecular Properties

Compound Name(2R)-2-chloro-N,N-bis(2-methylpropyl)propanamide
PubChem CID92660582
Molecular FormulaC11H22ClNO
Molecular Weight219.76 g/mol
Exact Mass219.14
IUPAC Name(2R)-2-chloro-N,N-bis(2-methylpropyl)propanamide
SMILESCC(C)CN(CC(C)C)C(=O)[C@@H](C)Cl
InChIInChI=1S/C11H22ClNO/c1-8(2)6-13(7-9(3)4)11(14)10(5)12/h8-10H,6-7H2,1-5H3/t10-/m1/s1
InChIKeyBDIBTPBKUQRQEK-SNVBAGLBSA-N
XLogP2.75
TPSA20.31 Ų
H-Bond Donors
H-Bond Acceptors1
Rotatable Bonds5
Heavy Atoms14
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500219.76
LogP ≤ 52.75
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 101

Computed Properties (RDKit)

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

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Related Compounds

2-chloro-N,N-bis(3-methylbutyl)propanamide
CID 60718201
2-amino-N,N-bis(2-methylpropyl)propanamide
CID 43588746
N,N,N',N'-tetrakis(2-methylpropyl)oxamide
CID 4523531
2-chloro-N-cyclopropyl-N-(2-methylpropyl)propanamide
CID 60948501
2-chloro-N-[1-(dimethylamino)propan-2-yl]-N-ethylpropanamide
CID 103187986
2-chloro-N-ethyl-N-(2-methylprop-2-enyl)propanamide
CID 24703589
2-chloro-N,N-dihexylpropanamide
CID 533081
2-chloro-N-(cyanomethyl)-N-ethylpropanamide
CID 131223053
bis(2-methylpropyl)carbamoyl-oxophosphanium
CID 149152726
N,N-bis(2-methylpropyl)-2-oxopropanamide
CID 10910517
S-methyl N,N-bis(2-methylpropyl)carbamothioate
CID 20780776
2-chloro-N-(2-cyanoethyl)-N-(2-hydroxypropyl)propanamide
CID 82102552

Frequently Asked Questions

What is the IUPAC name of (2R)-2-chloro-N,N-bis(2-methylpropyl)propanamide?
The IUPAC name of (2R)-2-chloro-N,N-bis(2-methylpropyl)propanamide (CID 92660582) is (2R)-2-chloro-N,N-bis(2-methylpropyl)propanamide.
What is the SMILES notation for (2R)-2-chloro-N,N-bis(2-methylpropyl)propanamide?
The canonical SMILES for (2R)-2-chloro-N,N-bis(2-methylpropyl)propanamide is CC(C)CN(CC(C)C)C(=O)[C@@H](C)Cl.
What is the InChIKey of (2R)-2-chloro-N,N-bis(2-methylpropyl)propanamide?
The InChIKey is BDIBTPBKUQRQEK-SNVBAGLBSA-N. The full InChI is InChI=1S/C11H22ClNO/c1-8(2)6-13(7-9(3)4)11(14)10(5)12/h8-10H,6-7H2,1-5H3/t10-/m1/s1.
What are the key properties of (2R)-2-chloro-N,N-bis(2-methylpropyl)propanamide?
(2R)-2-chloro-N,N-bis(2-methylpropyl)propanamide has a molecular weight of 219.76 g/mol, XLogP of 2.75, 5 rotatable bonds, 0 hydrogen bond donors, and 1 hydrogen bond acceptors.
Where does this data come from?
All data for (2R)-2-chloro-N,N-bis(2-methylpropyl)propanamide is sourced from PubChem (CID 92660582), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).