3-[(5-cyano-2-methoxyphenyl)methylamino]-2,2-dimethylpropanamide

C14H19N3O2 — CID 106276677

IUPAC3-[(5-cyano-2-methoxyphenyl)methylamino]-2,2-dimethylpropanamide
SMILESCOc1ccc(C#N)cc1CNCC(C)(C)C(N)=O
InChIInChI=1S/C14H19N3O2/c1-14(2,13(16)18)9-17-8-11-6-10(7-15)4-5-12(11)19-3/h4-6,17H,8-9H2,1-3H3,(H2,16,18)
InChIKeyRPYUTMOVSLAMIZ-UHFFFAOYSA-N
MW261.32 g/mol
LogP1.17
Rot. Bonds6

About 3-[(5-cyano-2-methoxyphenyl)methylamino]-2,2-dimethylpropanamide

3-[(5-cyano-2-methoxyphenyl)methylamino]-2,2-dimethylpropanamide (PubChem CID 106276677) has the molecular formula C14H19N3O2 and a molecular weight of 261.32 g/mol. Its IUPAC name is 3-[(5-cyano-2-methoxyphenyl)methylamino]-2,2-dimethylpropanamide.

Molecular Properties

Compound Name3-[(5-cyano-2-methoxyphenyl)methylamino]-2,2-dimethylpropanamide
PubChem CID106276677
Molecular FormulaC14H19N3O2
Molecular Weight261.32 g/mol
Exact Mass261.15
IUPAC Name3-[(5-cyano-2-methoxyphenyl)methylamino]-2,2-dimethylpropanamide
SMILESCOc1ccc(C#N)cc1CNCC(C)(C)C(N)=O
InChIInChI=1S/C14H19N3O2/c1-14(2,13(16)18)9-17-8-11-6-10(7-15)4-5-12(11)19-3/h4-6,17H,8-9H2,1-3H3,(H2,16,18)
InChIKeyRPYUTMOVSLAMIZ-UHFFFAOYSA-N
XLogP1.17
TPSA88.14 Ų
H-Bond Donors2
H-Bond Acceptors4
Rotatable Bonds6
Heavy Atoms19
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500261.32
LogP ≤ 51.17
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 104

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Related Compounds

4-methoxy-3-[(2,3,3-trimethylbutylamino)methyl]benzonitrile
CID 83143462
4-methoxy-3-[(pent-3-ynylamino)methyl]benzonitrile
CID 116643677
3-[[(4-hydroxycyclohexyl)methylamino]methyl]-4-methoxybenzonitrile
CID 106133266
3-[(2-cyclopropylpropan-2-ylamino)methyl]-4-methoxybenzonitrile
CID 113428864
4-methoxy-3-[[(4-methyl-3-pyridinyl)methylamino]methyl]benzonitrile
CID 114955600
3-[[[1-(2-hydroxyethyl)cyclopropyl]methylamino]methyl]-4-methoxybenzonitrile
CID 114756535
3-[[(3-chloro-5-formyl-2-pyridinyl)amino]methyl]-4-methoxybenzonitrile
CID 142549585
4-methoxy-3-[[(3-methyl-4-pyridinyl)methylamino]methyl]benzonitrile
CID 114699786
3-[[1-(dimethylamino)propan-2-ylamino]methyl]-4-methoxybenzonitrile
CID 82937751
4-methoxy-3-[[(3-methoxycyclobutyl)amino]methyl]benzonitrile
CID 114119316
N-carbamoyl-2-(4-cyano-2-methoxyphenoxy)acetamide
CID 2492394
4-methoxy-3-[[3-[methyl(propan-2-yl)amino]propylamino]methyl]benzonitrile
CID 106045654

Frequently Asked Questions

What is the IUPAC name of 3-[(5-cyano-2-methoxyphenyl)methylamino]-2,2-dimethylpropanamide?
The IUPAC name of 3-[(5-cyano-2-methoxyphenyl)methylamino]-2,2-dimethylpropanamide (CID 106276677) is 3-[(5-cyano-2-methoxyphenyl)methylamino]-2,2-dimethylpropanamide.
What is the SMILES notation for 3-[(5-cyano-2-methoxyphenyl)methylamino]-2,2-dimethylpropanamide?
The canonical SMILES for 3-[(5-cyano-2-methoxyphenyl)methylamino]-2,2-dimethylpropanamide is COc1ccc(C#N)cc1CNCC(C)(C)C(N)=O.
What is the InChIKey of 3-[(5-cyano-2-methoxyphenyl)methylamino]-2,2-dimethylpropanamide?
The InChIKey is RPYUTMOVSLAMIZ-UHFFFAOYSA-N. The full InChI is InChI=1S/C14H19N3O2/c1-14(2,13(16)18)9-17-8-11-6-10(7-15)4-5-12(11)19-3/h4-6,17H,8-9H2,1-3H3,(H2,16,18).
What are the key properties of 3-[(5-cyano-2-methoxyphenyl)methylamino]-2,2-dimethylpropanamide?
3-[(5-cyano-2-methoxyphenyl)methylamino]-2,2-dimethylpropanamide has a molecular weight of 261.32 g/mol, XLogP of 1.17, 6 rotatable bonds, 2 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 3-[(5-cyano-2-methoxyphenyl)methylamino]-2,2-dimethylpropanamide is sourced from PubChem (CID 106276677), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).