(2S)-2-amino-N-[4-[2-(diethylamino)ethoxy]phenyl]-3,3-dimethylbutanamide

C18H31N3O2 — CID 119841222

IUPAC(2S)-2-amino-N-[4-[2-(diethylamino)ethoxy]phenyl]-3,3-dimethylbutanamide
SMILESCCN(CC)CCOc1ccc(NC(=O)[C@@H](N)C(C)(C)C)cc1
InChIInChI=1S/C18H31N3O2/c1-6-21(7-2)12-13-23-15-10-8-14(9-11-15)20-17(22)16(19)18(3,4)5/h8-11,16H,6-7,12-13,19H2,1-5H3,(H,20,22)/t16-/m1/s1
InChIKeySTDIEYLCGCFYGA-MRXNPFEDSA-N
MW321.47 g/mol
LogP2.72
Rot. Bonds8

About (2S)-2-amino-N-[4-[2-(diethylamino)ethoxy]phenyl]-3,3-dimethylbutanamide

(2S)-2-amino-N-[4-[2-(diethylamino)ethoxy]phenyl]-3,3-dimethylbutanamide (PubChem CID 119841222) has the molecular formula C18H31N3O2 and a molecular weight of 321.47 g/mol. Its IUPAC name is (2S)-2-amino-N-[4-[2-(diethylamino)ethoxy]phenyl]-3,3-dimethylbutanamide.

Molecular Properties

Compound Name(2S)-2-amino-N-[4-[2-(diethylamino)ethoxy]phenyl]-3,3-dimethylbutanamide
PubChem CID119841222
Molecular FormulaC18H31N3O2
Molecular Weight321.47 g/mol
Exact Mass321.24
IUPAC Name(2S)-2-amino-N-[4-[2-(diethylamino)ethoxy]phenyl]-3,3-dimethylbutanamide
SMILESCCN(CC)CCOc1ccc(NC(=O)[C@@H](N)C(C)(C)C)cc1
InChIInChI=1S/C18H31N3O2/c1-6-21(7-2)12-13-23-15-10-8-14(9-11-15)20-17(22)16(19)18(3,4)5/h8-11,16H,6-7,12-13,19H2,1-5H3,(H,20,22)/t16-/m1/s1
InChIKeySTDIEYLCGCFYGA-MRXNPFEDSA-N
XLogP2.72
TPSA67.59 Ų
H-Bond Donors2
H-Bond Acceptors4
Rotatable Bonds8
Heavy Atoms23
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500321.47
LogP ≤ 52.72
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 104

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Related Compounds

(2S)-2-amino-N-[3-[2-(diethylamino)ethoxy]-4-methoxyphenyl]-3,3-dimethylbutanamide;dihydrochloride
CID 119865034
methyl 4-[4-[[(2S)-2-amino-3,3-dimethylbutanoyl]amino]phenoxy]butanoate
CID 119784200
(2S)-2-amino-N-(4-methoxyphenyl)-3,3-dimethylbutanamide
CID 61149357
(2S)-2-amino-3,3-dimethyl-N-[4-[2-(4-methylpiperazin-1-yl)ethoxy]phenyl]butanamide
CID 119903588
N-[4-[2-(diethylamino)ethoxy]phenyl]-2-methoxy-2,4-dimethylpentanamide
CID 133194288
(2S)-2-amino-N-[3-[2-(dimethylamino)ethoxy]phenyl]-3,3-dimethylbutanamide
CID 61180242
(2R)-2-amino-N-[4-[2-(dimethylamino)ethoxy]phenyl]-3-methylbutanamide
CID 79013043
2-amino-3,3-dimethyl-N-(4-propan-2-yloxyphenyl)butanamide
CID 76892558
2-amino-3,3-dimethyl-N-[4-(propanoylamino)phenyl]butanamide
CID 76887665
4-[[(2S)-2-amino-3,3-dimethylbutanoyl]amino]-N,N-diethylbenzamide;hydrochloride
CID 119684182
2-amino-N-(4-propoxyphenyl)propanamide
CID 62327124
methyl N-[4-[[(2S)-2-amino-3,3-dimethylbutanoyl]amino]phenyl]carbamate
CID 61179916

Frequently Asked Questions

What is the IUPAC name of (2S)-2-amino-N-[4-[2-(diethylamino)ethoxy]phenyl]-3,3-dimethylbutanamide?
The IUPAC name of (2S)-2-amino-N-[4-[2-(diethylamino)ethoxy]phenyl]-3,3-dimethylbutanamide (CID 119841222) is (2S)-2-amino-N-[4-[2-(diethylamino)ethoxy]phenyl]-3,3-dimethylbutanamide.
What is the SMILES notation for (2S)-2-amino-N-[4-[2-(diethylamino)ethoxy]phenyl]-3,3-dimethylbutanamide?
The canonical SMILES for (2S)-2-amino-N-[4-[2-(diethylamino)ethoxy]phenyl]-3,3-dimethylbutanamide is CCN(CC)CCOc1ccc(NC(=O)[C@@H](N)C(C)(C)C)cc1.
What is the InChIKey of (2S)-2-amino-N-[4-[2-(diethylamino)ethoxy]phenyl]-3,3-dimethylbutanamide?
The InChIKey is STDIEYLCGCFYGA-MRXNPFEDSA-N. The full InChI is InChI=1S/C18H31N3O2/c1-6-21(7-2)12-13-23-15-10-8-14(9-11-15)20-17(22)16(19)18(3,4)5/h8-11,16H,6-7,12-13,19H2,1-5H3,(H,20,22)/t16-/m1/s1.
What are the key properties of (2S)-2-amino-N-[4-[2-(diethylamino)ethoxy]phenyl]-3,3-dimethylbutanamide?
(2S)-2-amino-N-[4-[2-(diethylamino)ethoxy]phenyl]-3,3-dimethylbutanamide has a molecular weight of 321.47 g/mol, XLogP of 2.72, 8 rotatable bonds, 2 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for (2S)-2-amino-N-[4-[2-(diethylamino)ethoxy]phenyl]-3,3-dimethylbutanamide is sourced from PubChem (CID 119841222), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).