(2R)-2-(3-chlorophenoxy)-N,N-bis(2-methylpropyl)propanamide

C17H26ClNO2 — CID 897565

IUPAC(2R)-2-(3-chlorophenoxy)-N,N-bis(2-methylpropyl)propanamide
SMILESCC(C)CN(CC(C)C)C(=O)[C@@H](C)Oc1cccc(Cl)c1
InChIInChI=1S/C17H26ClNO2/c1-12(2)10-19(11-13(3)4)17(20)14(5)21-16-8-6-7-15(18)9-16/h6-9,12-14H,10-11H2,1-5H3/t14-/m1/s1
InChIKeyAWFUGAHRKMESEB-CQSZACIVSA-N
MW311.85 g/mol
LogP4.25
Rot. Bonds7

About (2R)-2-(3-chlorophenoxy)-N,N-bis(2-methylpropyl)propanamide

(2R)-2-(3-chlorophenoxy)-N,N-bis(2-methylpropyl)propanamide (PubChem CID 897565) has the molecular formula C17H26ClNO2 and a molecular weight of 311.85 g/mol. Its IUPAC name is (2R)-2-(3-chlorophenoxy)-N,N-bis(2-methylpropyl)propanamide.

Molecular Properties

Compound Name(2R)-2-(3-chlorophenoxy)-N,N-bis(2-methylpropyl)propanamide
PubChem CID897565
Molecular FormulaC17H26ClNO2
Molecular Weight311.85 g/mol
Exact Mass311.17
IUPAC Name(2R)-2-(3-chlorophenoxy)-N,N-bis(2-methylpropyl)propanamide
SMILESCC(C)CN(CC(C)C)C(=O)[C@@H](C)Oc1cccc(Cl)c1
InChIInChI=1S/C17H26ClNO2/c1-12(2)10-19(11-13(3)4)17(20)14(5)21-16-8-6-7-15(18)9-16/h6-9,12-14H,10-11H2,1-5H3/t14-/m1/s1
InChIKeyAWFUGAHRKMESEB-CQSZACIVSA-N
XLogP4.25
TPSA29.54 Ų
H-Bond Donors
H-Bond Acceptors2
Rotatable Bonds7
Heavy Atoms21
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500311.85
LogP ≤ 54.25
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 102

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Related Compounds

2-[2-(3-chlorophenoxy)propanoyl-(2-methylpropyl)amino]acetic acid
CID 62034436
2-(3-chlorophenoxy)-N-methyl-N-(2-methylpropyl)propanamide
CID 134058549
(2S)-2-(3-chlorophenoxy)-N,N-diethylpropanamide
CID 40538344
(3R)-3-(3-chlorophenoxy)butan-2-one
CID 1489403
N-(2-chloroethyl)-2-(3-chlorophenoxy)-N-methylpropanamide
CID 63391336
(2R)-2-(3-chlorophenoxy)-N-[2-[[(2R)-2-(3-chlorophenoxy)propanoyl]amino]ethyl]propanamide
CID 2165550
(2S)-2-(3-chlorophenoxy)-N-(2-methylpropyl)propanamide
CID 966270
(E,4R)-4-(3-chlorophenoxy)-1-(dimethylamino)pent-1-en-3-one
CID 1489413
(2R)-2-(3-chlorophenoxy)-N-[(2S)-1-ethylsulfonylpropan-2-yl]-N-methylpropanamide
CID 96533228
N-(3-amino-3-hydroxyimino-2-methylpropyl)-2-(3-chlorophenoxy)-N-methylpropanamide
CID 76937574
2-(3-chlorophenoxy)propanehydrazide
CID 2832641
4-(3-chlorophenoxy)-2-methylpent-1-en-3-one
CID 105113093

Frequently Asked Questions

What is the IUPAC name of (2R)-2-(3-chlorophenoxy)-N,N-bis(2-methylpropyl)propanamide?
The IUPAC name of (2R)-2-(3-chlorophenoxy)-N,N-bis(2-methylpropyl)propanamide (CID 897565) is (2R)-2-(3-chlorophenoxy)-N,N-bis(2-methylpropyl)propanamide.
What is the SMILES notation for (2R)-2-(3-chlorophenoxy)-N,N-bis(2-methylpropyl)propanamide?
The canonical SMILES for (2R)-2-(3-chlorophenoxy)-N,N-bis(2-methylpropyl)propanamide is CC(C)CN(CC(C)C)C(=O)[C@@H](C)Oc1cccc(Cl)c1.
What is the InChIKey of (2R)-2-(3-chlorophenoxy)-N,N-bis(2-methylpropyl)propanamide?
The InChIKey is AWFUGAHRKMESEB-CQSZACIVSA-N. The full InChI is InChI=1S/C17H26ClNO2/c1-12(2)10-19(11-13(3)4)17(20)14(5)21-16-8-6-7-15(18)9-16/h6-9,12-14H,10-11H2,1-5H3/t14-/m1/s1.
What are the key properties of (2R)-2-(3-chlorophenoxy)-N,N-bis(2-methylpropyl)propanamide?
(2R)-2-(3-chlorophenoxy)-N,N-bis(2-methylpropyl)propanamide has a molecular weight of 311.85 g/mol, XLogP of 4.25, 7 rotatable bonds, 0 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for (2R)-2-(3-chlorophenoxy)-N,N-bis(2-methylpropyl)propanamide is sourced from PubChem (CID 897565), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).