N-[(2S)-2-[5-(furan-2-yl)furan-2-yl]-2-hydroxyethyl]-3,3-dimethylbutanamide

C16H21NO4 — CID 164631469

IUPACN-[(2S)-2-[5-(furan-2-yl)furan-2-yl]-2-hydroxyethyl]-3,3-dimethylbutanamide
SMILESCC(C)(C)CC(=O)NC[C@H](O)c1ccc(-c2ccco2)o1
InChIInChI=1S/C16H21NO4/c1-16(2,3)9-15(19)17-10-11(18)12-6-7-14(21-12)13-5-4-8-20-13/h4-8,11,18H,9-10H2,1-3H3,(H,17,19)/t11-/m0/s1
InChIKeyNUDAZVIZHFJRHP-NSHDSACASA-N
MW291.35 g/mol
LogP3.13
Rot. Bonds5

About N-[(2S)-2-[5-(furan-2-yl)furan-2-yl]-2-hydroxyethyl]-3,3-dimethylbutanamide

N-[(2S)-2-[5-(furan-2-yl)furan-2-yl]-2-hydroxyethyl]-3,3-dimethylbutanamide (PubChem CID 164631469) has the molecular formula C16H21NO4 and a molecular weight of 291.35 g/mol. Its IUPAC name is N-[(2S)-2-[5-(furan-2-yl)furan-2-yl]-2-hydroxyethyl]-3,3-dimethylbutanamide.

Molecular Properties

Compound NameN-[(2S)-2-[5-(furan-2-yl)furan-2-yl]-2-hydroxyethyl]-3,3-dimethylbutanamide
PubChem CID164631469
Molecular FormulaC16H21NO4
Molecular Weight291.35 g/mol
Exact Mass291.15
IUPAC NameN-[(2S)-2-[5-(furan-2-yl)furan-2-yl]-2-hydroxyethyl]-3,3-dimethylbutanamide
SMILESCC(C)(C)CC(=O)NC[C@H](O)c1ccc(-c2ccco2)o1
InChIInChI=1S/C16H21NO4/c1-16(2,3)9-15(19)17-10-11(18)12-6-7-14(21-12)13-5-4-8-20-13/h4-8,11,18H,9-10H2,1-3H3,(H,17,19)/t11-/m0/s1
InChIKeyNUDAZVIZHFJRHP-NSHDSACASA-N
XLogP3.13
TPSA75.61 Ų
H-Bond Donors2
H-Bond Acceptors4
Rotatable Bonds5
Heavy Atoms21
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500291.35
LogP ≤ 53.13
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 104

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Related Compounds

2-(4-tert-butylphenoxy)-N-[2-(furan-2-yl)-2-hydroxyethyl]acetamide
CID 110889231
N-[2-hydroxy-2-(3-propan-2-yloxyphenyl)ethyl]-3,3-dimethylbutanamide
CID 111423701
N-[2-(furan-2-yl)-2-hydroxyethyl]-2,2,4-trimethylpentanamide
CID 111971968
N-[2-(furan-2-yl)-2-hydroxyethyl]-4-methoxybutanamide
CID 110899101
N-ethyl-N'-[2-(furan-2-yl)-2-hydroxyethyl]pentanediamide
CID 111102313
N-[2-(2,4-dichlorophenyl)-2-hydroxyethyl]-3,3-dimethylbutanamide
CID 111115633
3-(furan-2-yl)-N-[(2R)-2-hydroxypropyl]propanamide
CID 83032070
N-[(2S)-2-(furan-2-yl)-2-(4-phenylpiperazin-1-yl)ethyl]-3,3-dimethylbutanamide
CID 7162699
N-[2-(2-hydroxypropylamino)-2-oxoethyl]-3,3-dimethylbutanamide
CID 110902978
[1-[[5-(furan-2-yl)furan-2-yl]methylamino]-2-methyl-1-oxopropan-2-yl] acetate
CID 122161310
2-(2-ethylphenoxy)-N-[2-(furan-2-yl)-2-hydroxyethyl]acetamide
CID 86981092
N-[2-(furan-2-yl)-2-hydroxyethyl]-2-(4-propan-2-ylphenoxy)acetamide
CID 110889182

Frequently Asked Questions

What is the IUPAC name of N-[(2S)-2-[5-(furan-2-yl)furan-2-yl]-2-hydroxyethyl]-3,3-dimethylbutanamide?
The IUPAC name of N-[(2S)-2-[5-(furan-2-yl)furan-2-yl]-2-hydroxyethyl]-3,3-dimethylbutanamide (CID 164631469) is N-[(2S)-2-[5-(furan-2-yl)furan-2-yl]-2-hydroxyethyl]-3,3-dimethylbutanamide.
What is the SMILES notation for N-[(2S)-2-[5-(furan-2-yl)furan-2-yl]-2-hydroxyethyl]-3,3-dimethylbutanamide?
The canonical SMILES for N-[(2S)-2-[5-(furan-2-yl)furan-2-yl]-2-hydroxyethyl]-3,3-dimethylbutanamide is CC(C)(C)CC(=O)NC[C@H](O)c1ccc(-c2ccco2)o1.
What is the InChIKey of N-[(2S)-2-[5-(furan-2-yl)furan-2-yl]-2-hydroxyethyl]-3,3-dimethylbutanamide?
The InChIKey is NUDAZVIZHFJRHP-NSHDSACASA-N. The full InChI is InChI=1S/C16H21NO4/c1-16(2,3)9-15(19)17-10-11(18)12-6-7-14(21-12)13-5-4-8-20-13/h4-8,11,18H,9-10H2,1-3H3,(H,17,19)/t11-/m0/s1.
What are the key properties of N-[(2S)-2-[5-(furan-2-yl)furan-2-yl]-2-hydroxyethyl]-3,3-dimethylbutanamide?
N-[(2S)-2-[5-(furan-2-yl)furan-2-yl]-2-hydroxyethyl]-3,3-dimethylbutanamide has a molecular weight of 291.35 g/mol, XLogP of 3.13, 5 rotatable bonds, 2 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for N-[(2S)-2-[5-(furan-2-yl)furan-2-yl]-2-hydroxyethyl]-3,3-dimethylbutanamide is sourced from PubChem (CID 164631469), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).