(2R)-2-amino-N-(5-chloro-2-propoxyphenyl)-3,3-dimethylbutanamide

C15H23ClN2O2 — CID 103929030

IUPAC(2R)-2-amino-N-(5-chloro-2-propoxyphenyl)-3,3-dimethylbutanamide
SMILESCCCOc1ccc(Cl)cc1NC(=O)[C@H](N)C(C)(C)C
InChIInChI=1S/C15H23ClN2O2/c1-5-8-20-12-7-6-10(16)9-11(12)18-14(19)13(17)15(2,3)4/h6-7,9,13H,5,8,17H2,1-4H3,(H,18,19)/t13-/m0/s1
InChIKeyPPTMOMKWGVQKDV-ZDUSSCGKSA-N
MW298.81 g/mol
LogP3.44
Rot. Bonds5

About (2R)-2-amino-N-(5-chloro-2-propoxyphenyl)-3,3-dimethylbutanamide

(2R)-2-amino-N-(5-chloro-2-propoxyphenyl)-3,3-dimethylbutanamide (PubChem CID 103929030) has the molecular formula C15H23ClN2O2 and a molecular weight of 298.81 g/mol. Its IUPAC name is (2R)-2-amino-N-(5-chloro-2-propoxyphenyl)-3,3-dimethylbutanamide.

Molecular Properties

Compound Name(2R)-2-amino-N-(5-chloro-2-propoxyphenyl)-3,3-dimethylbutanamide
PubChem CID103929030
Molecular FormulaC15H23ClN2O2
Molecular Weight298.81 g/mol
Exact Mass298.14
IUPAC Name(2R)-2-amino-N-(5-chloro-2-propoxyphenyl)-3,3-dimethylbutanamide
SMILESCCCOc1ccc(Cl)cc1NC(=O)[C@H](N)C(C)(C)C
InChIInChI=1S/C15H23ClN2O2/c1-5-8-20-12-7-6-10(16)9-11(12)18-14(19)13(17)15(2,3)4/h6-7,9,13H,5,8,17H2,1-4H3,(H,18,19)/t13-/m0/s1
InChIKeyPPTMOMKWGVQKDV-ZDUSSCGKSA-N
XLogP3.44
TPSA64.35 Ų
H-Bond Donors2
H-Bond Acceptors3
Rotatable Bonds5
Heavy Atoms20
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500298.81
LogP ≤ 53.44
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 103

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Related Compounds

2-bromo-N-(5-chloro-2-propoxyphenyl)butanamide
CID 62854326
(2S)-2-amino-N-(5-chloro-2-propoxyphenyl)-4-methylsulfanylbutanamide
CID 61180506
(2S)-2-amino-N-[5-chloro-2-(2-ethoxyethoxy)phenyl]propanamide
CID 119317513
4-amino-N-(5-chloro-2-propoxyphenyl)butanamide
CID 54862408
4-amino-N-(5-chloro-2-propoxyphenyl)pentanamide;hydrochloride
CID 120560403
1-(5-chloro-2-propoxyphenyl)-3-(1-hydroxypropan-2-yl)urea
CID 110896841
2-(aminomethyl)-N-(5-chloro-2-propoxyphenyl)-2-ethylbutanamide
CID 115431978
2-amino-N-[5-chloro-2-(2-ethoxyethoxy)phenyl]pentanamide
CID 119317523
1-(5-chloro-2-propoxyphenyl)-3-(2-ethyl-2-hydroxybutyl)urea
CID 56555388
N-(5-chloro-2-propoxyphenyl)-2-methoxyacetamide
CID 61062461
2-amino-N-[5-chloro-2-(2-ethoxyethoxy)phenyl]pentanamide;hydrochloride
CID 119317522
5-amino-N-(5-chloro-2-propoxyphenyl)-4-methylpentanamide
CID 82011180

Frequently Asked Questions

What is the IUPAC name of (2R)-2-amino-N-(5-chloro-2-propoxyphenyl)-3,3-dimethylbutanamide?
The IUPAC name of (2R)-2-amino-N-(5-chloro-2-propoxyphenyl)-3,3-dimethylbutanamide (CID 103929030) is (2R)-2-amino-N-(5-chloro-2-propoxyphenyl)-3,3-dimethylbutanamide.
What is the SMILES notation for (2R)-2-amino-N-(5-chloro-2-propoxyphenyl)-3,3-dimethylbutanamide?
The canonical SMILES for (2R)-2-amino-N-(5-chloro-2-propoxyphenyl)-3,3-dimethylbutanamide is CCCOc1ccc(Cl)cc1NC(=O)[C@H](N)C(C)(C)C.
What is the InChIKey of (2R)-2-amino-N-(5-chloro-2-propoxyphenyl)-3,3-dimethylbutanamide?
The InChIKey is PPTMOMKWGVQKDV-ZDUSSCGKSA-N. The full InChI is InChI=1S/C15H23ClN2O2/c1-5-8-20-12-7-6-10(16)9-11(12)18-14(19)13(17)15(2,3)4/h6-7,9,13H,5,8,17H2,1-4H3,(H,18,19)/t13-/m0/s1.
What are the key properties of (2R)-2-amino-N-(5-chloro-2-propoxyphenyl)-3,3-dimethylbutanamide?
(2R)-2-amino-N-(5-chloro-2-propoxyphenyl)-3,3-dimethylbutanamide has a molecular weight of 298.81 g/mol, XLogP of 3.44, 5 rotatable bonds, 2 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for (2R)-2-amino-N-(5-chloro-2-propoxyphenyl)-3,3-dimethylbutanamide is sourced from PubChem (CID 103929030), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).