(2S)-2-amino-3,3-dimethyl-N-[3-(2-oxo-2-pyrrolidin-1-ylethoxy)phenyl]butanamide

C18H27N3O3 — CID 119713860

IUPAC(2S)-2-amino-3,3-dimethyl-N-[3-(2-oxo-2-pyrrolidin-1-ylethoxy)phenyl]butanamide
SMILESCC(C)(C)[C@H](N)C(=O)Nc1cccc(OCC(=O)N2CCCC2)c1
InChIInChI=1S/C18H27N3O3/c1-18(2,3)16(19)17(23)20-13-7-6-8-14(11-13)24-12-15(22)21-9-4-5-10-21/h6-8,11,16H,4-5,9-10,12,19H2,1-3H3,(H,20,23)/t16-/m1/s1
InChIKeyCJZWAIIWYWGNRX-MRXNPFEDSA-N
MW333.43 g/mol
LogP2.00
Rot. Bonds5

About (2S)-2-amino-3,3-dimethyl-N-[3-(2-oxo-2-pyrrolidin-1-ylethoxy)phenyl]butanamide

(2S)-2-amino-3,3-dimethyl-N-[3-(2-oxo-2-pyrrolidin-1-ylethoxy)phenyl]butanamide (PubChem CID 119713860) has the molecular formula C18H27N3O3 and a molecular weight of 333.43 g/mol. Its IUPAC name is (2S)-2-amino-3,3-dimethyl-N-[3-(2-oxo-2-pyrrolidin-1-ylethoxy)phenyl]butanamide.

Molecular Properties

Compound Name(2S)-2-amino-3,3-dimethyl-N-[3-(2-oxo-2-pyrrolidin-1-ylethoxy)phenyl]butanamide
PubChem CID119713860
Molecular FormulaC18H27N3O3
Molecular Weight333.43 g/mol
Exact Mass333.21
IUPAC Name(2S)-2-amino-3,3-dimethyl-N-[3-(2-oxo-2-pyrrolidin-1-ylethoxy)phenyl]butanamide
SMILESCC(C)(C)[C@H](N)C(=O)Nc1cccc(OCC(=O)N2CCCC2)c1
InChIInChI=1S/C18H27N3O3/c1-18(2,3)16(19)17(23)20-13-7-6-8-14(11-13)24-12-15(22)21-9-4-5-10-21/h6-8,11,16H,4-5,9-10,12,19H2,1-3H3,(H,20,23)/t16-/m1/s1
InChIKeyCJZWAIIWYWGNRX-MRXNPFEDSA-N
XLogP2.00
TPSA84.66 Ų
H-Bond Donors2
H-Bond Acceptors4
Rotatable Bonds5
Heavy Atoms24
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500333.43
LogP ≤ 52.00
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 104

Analyze (2S)-2-amino-3,3-dimethyl-N-[3-(2-oxo-2-pyrrolidin-1-ylethoxy)phenyl]butanamide with MolForge

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Related Compounds

2-methyl-N-[3-(2-oxo-2-piperidin-1-ylethoxy)phenyl]propanamide
CID 18870129
4,4-dimethyl-N-[3-(2-oxo-2-pyrrolidin-1-ylethoxy)phenyl]pentanamide
CID 129255718
(2S)-2-amino-N-[3-(2-anilino-2-oxoethoxy)phenyl]-3,3-dimethylbutanamide;hydrochloride
CID 119723901
2-cyano-2-methyl-N-[3-(2-oxo-2-pyrrolidin-1-ylethoxy)phenyl]propanamide
CID 60530152
2-amino-3,3-dimethyl-N-[3-(2-methylpropoxy)phenyl]butanamide
CID 76887829
2-amino-N-[3-(2-oxo-2-pyrrolidin-1-ylethoxy)phenyl]-2-phenylpropanamide;hydrochloride
CID 120588334
2-[3-(2-aminoethylamino)phenoxy]-1-pyrrolidin-1-ylethanone
CID 117097629
3-amino-N-[3-(2-oxo-2-pyrrolidin-1-ylethoxy)phenyl]-3-phenylpropanamide
CID 119949591
(2S)-2-amino-N-[3-[2-(dimethylamino)ethoxy]phenyl]-3,3-dimethylbutanamide
CID 61180242
2-methyl-N-[3-(2-oxo-2-pyrrolidin-1-ylethoxy)phenyl]pent-2-enamide
CID 76868356
2-[3-[(1R)-1-aminoethyl]phenoxy]-1-pyrrolidin-1-ylethanone
CID 30118492
2-naphthalen-1-yl-N-[3-(2-oxo-2-pyrrolidin-1-ylethoxy)phenyl]acetamide
CID 46461055

Frequently Asked Questions

What is the IUPAC name of (2S)-2-amino-3,3-dimethyl-N-[3-(2-oxo-2-pyrrolidin-1-ylethoxy)phenyl]butanamide?
The IUPAC name of (2S)-2-amino-3,3-dimethyl-N-[3-(2-oxo-2-pyrrolidin-1-ylethoxy)phenyl]butanamide (CID 119713860) is (2S)-2-amino-3,3-dimethyl-N-[3-(2-oxo-2-pyrrolidin-1-ylethoxy)phenyl]butanamide.
What is the SMILES notation for (2S)-2-amino-3,3-dimethyl-N-[3-(2-oxo-2-pyrrolidin-1-ylethoxy)phenyl]butanamide?
The canonical SMILES for (2S)-2-amino-3,3-dimethyl-N-[3-(2-oxo-2-pyrrolidin-1-ylethoxy)phenyl]butanamide is CC(C)(C)[C@H](N)C(=O)Nc1cccc(OCC(=O)N2CCCC2)c1.
What is the InChIKey of (2S)-2-amino-3,3-dimethyl-N-[3-(2-oxo-2-pyrrolidin-1-ylethoxy)phenyl]butanamide?
The InChIKey is CJZWAIIWYWGNRX-MRXNPFEDSA-N. The full InChI is InChI=1S/C18H27N3O3/c1-18(2,3)16(19)17(23)20-13-7-6-8-14(11-13)24-12-15(22)21-9-4-5-10-21/h6-8,11,16H,4-5,9-10,12,19H2,1-3H3,(H,20,23)/t16-/m1/s1.
What are the key properties of (2S)-2-amino-3,3-dimethyl-N-[3-(2-oxo-2-pyrrolidin-1-ylethoxy)phenyl]butanamide?
(2S)-2-amino-3,3-dimethyl-N-[3-(2-oxo-2-pyrrolidin-1-ylethoxy)phenyl]butanamide has a molecular weight of 333.43 g/mol, XLogP of 2.00, 5 rotatable bonds, 2 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for (2S)-2-amino-3,3-dimethyl-N-[3-(2-oxo-2-pyrrolidin-1-ylethoxy)phenyl]butanamide is sourced from PubChem (CID 119713860), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).