2-amino-N-[1-(4-cyanophenoxy)propan-2-yl]-3,3-dimethylbutanamide

C16H23N3O2 — CID 18972800

IUPAC2-amino-N-[1-(4-cyanophenoxy)propan-2-yl]-3,3-dimethylbutanamide
SMILESCC(COc1ccc(C#N)cc1)NC(=O)C(N)C(C)(C)C
InChIInChI=1S/C16H23N3O2/c1-11(19-15(20)14(18)16(2,3)4)10-21-13-7-5-12(9-17)6-8-13/h5-8,11,14H,10,18H2,1-4H3,(H,19,20)
InChIKeyWSYPCFCYSDYSRM-UHFFFAOYSA-N
MW289.38 g/mol
LogP1.82
Rot. Bonds5

About 2-amino-N-[1-(4-cyanophenoxy)propan-2-yl]-3,3-dimethylbutanamide

2-amino-N-[1-(4-cyanophenoxy)propan-2-yl]-3,3-dimethylbutanamide (PubChem CID 18972800) has the molecular formula C16H23N3O2 and a molecular weight of 289.38 g/mol. Its IUPAC name is 2-amino-N-[1-(4-cyanophenoxy)propan-2-yl]-3,3-dimethylbutanamide.

Molecular Properties

Compound Name2-amino-N-[1-(4-cyanophenoxy)propan-2-yl]-3,3-dimethylbutanamide
PubChem CID18972800
Molecular FormulaC16H23N3O2
Molecular Weight289.38 g/mol
Exact Mass289.18
IUPAC Name2-amino-N-[1-(4-cyanophenoxy)propan-2-yl]-3,3-dimethylbutanamide
SMILESCC(COc1ccc(C#N)cc1)NC(=O)C(N)C(C)(C)C
InChIInChI=1S/C16H23N3O2/c1-11(19-15(20)14(18)16(2,3)4)10-21-13-7-5-12(9-17)6-8-13/h5-8,11,14H,10,18H2,1-4H3,(H,19,20)
InChIKeyWSYPCFCYSDYSRM-UHFFFAOYSA-N
XLogP1.82
TPSA88.14 Ų
H-Bond Donors2
H-Bond Acceptors4
Rotatable Bonds5
Heavy Atoms21
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500289.38
LogP ≤ 51.82
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 104

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Related Compounds

2-cyanopropan-2-yl N-[(2S)-1-[1-(4-cyanophenoxy)propan-2-ylamino]-3-methyl-1-oxobutan-2-yl]carbamate
CID 67687484
(2S)-2-amino-3,3-dimethyl-N-[1-[4-(2-methylpropoxy)phenyl]ethyl]butanamide
CID 119815221
(2R)-3-(4-cyanophenoxy)-2-methylpropanamide
CID 70943065
prop-1-en-2-yl N-[(2S)-2-[1-(4-cyanophenoxy)propan-2-ylamino]-3-methylbutanoyl]carbamate
CID 67800181
2-amino-3-methoxy-N-[1-(4-methylphenoxy)propan-2-yl]propanamide
CID 81088183
(2R)-2-amino-4-methyl-N-[1-(4-methylphenoxy)propan-2-yl]pentanamide
CID 104903220
2-amino-3-methyl-N-[1-(4-methylphenoxy)propan-2-yl]pentanamide
CID 61170705
(2R)-2-cyano-N-[(2S)-1-(3-fluorophenoxy)propan-2-yl]-3,3-dimethylbutanamide
CID 100971737
tert-butyl 2-amino-3-[4-[(4-cyanophenyl)methoxy]phenyl]propanoate
CID 70059435
2-(4-cyanophenoxy)-N-[(2R)-pentan-2-yl]acetamide
CID 7503246
2-amino-3,3,3-trifluoro-2-methyl-N-[1-(4-methylphenoxy)propan-2-yl]propanamide
CID 79793690
(3R)-4-(4-cyanophenoxy)-3-hydroxybutanoic acid
CID 69173053

Frequently Asked Questions

What is the IUPAC name of 2-amino-N-[1-(4-cyanophenoxy)propan-2-yl]-3,3-dimethylbutanamide?
The IUPAC name of 2-amino-N-[1-(4-cyanophenoxy)propan-2-yl]-3,3-dimethylbutanamide (CID 18972800) is 2-amino-N-[1-(4-cyanophenoxy)propan-2-yl]-3,3-dimethylbutanamide.
What is the SMILES notation for 2-amino-N-[1-(4-cyanophenoxy)propan-2-yl]-3,3-dimethylbutanamide?
The canonical SMILES for 2-amino-N-[1-(4-cyanophenoxy)propan-2-yl]-3,3-dimethylbutanamide is CC(COc1ccc(C#N)cc1)NC(=O)C(N)C(C)(C)C.
What is the InChIKey of 2-amino-N-[1-(4-cyanophenoxy)propan-2-yl]-3,3-dimethylbutanamide?
The InChIKey is WSYPCFCYSDYSRM-UHFFFAOYSA-N. The full InChI is InChI=1S/C16H23N3O2/c1-11(19-15(20)14(18)16(2,3)4)10-21-13-7-5-12(9-17)6-8-13/h5-8,11,14H,10,18H2,1-4H3,(H,19,20).
What are the key properties of 2-amino-N-[1-(4-cyanophenoxy)propan-2-yl]-3,3-dimethylbutanamide?
2-amino-N-[1-(4-cyanophenoxy)propan-2-yl]-3,3-dimethylbutanamide has a molecular weight of 289.38 g/mol, XLogP of 1.82, 5 rotatable bonds, 2 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 2-amino-N-[1-(4-cyanophenoxy)propan-2-yl]-3,3-dimethylbutanamide is sourced from PubChem (CID 18972800), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).