3-[(3-methoxy-4-propan-2-yloxyphenyl)methylamino]-3-methylbutanamide

C16H26N2O3 — CID 106095993

IUPAC3-[(3-methoxy-4-propan-2-yloxyphenyl)methylamino]-3-methylbutanamide
SMILESCOc1cc(CNC(C)(C)CC(N)=O)ccc1OC(C)C
InChIInChI=1S/C16H26N2O3/c1-11(2)21-13-7-6-12(8-14(13)20-5)10-18-16(3,4)9-15(17)19/h6-8,11,18H,9-10H2,1-5H3,(H2,17,19)
InChIKeyLYDKVHIPJZISHA-UHFFFAOYSA-N
MW294.40 g/mol
LogP2.23
Rot. Bonds8

About 3-[(3-methoxy-4-propan-2-yloxyphenyl)methylamino]-3-methylbutanamide

3-[(3-methoxy-4-propan-2-yloxyphenyl)methylamino]-3-methylbutanamide (PubChem CID 106095993) has the molecular formula C16H26N2O3 and a molecular weight of 294.40 g/mol. Its IUPAC name is 3-[(3-methoxy-4-propan-2-yloxyphenyl)methylamino]-3-methylbutanamide.

Molecular Properties

Compound Name3-[(3-methoxy-4-propan-2-yloxyphenyl)methylamino]-3-methylbutanamide
PubChem CID106095993
Molecular FormulaC16H26N2O3
Molecular Weight294.40 g/mol
Exact Mass294.19
IUPAC Name3-[(3-methoxy-4-propan-2-yloxyphenyl)methylamino]-3-methylbutanamide
SMILESCOc1cc(CNC(C)(C)CC(N)=O)ccc1OC(C)C
InChIInChI=1S/C16H26N2O3/c1-11(2)21-13-7-6-12(8-14(13)20-5)10-18-16(3,4)9-15(17)19/h6-8,11,18H,9-10H2,1-5H3,(H2,17,19)
InChIKeyLYDKVHIPJZISHA-UHFFFAOYSA-N
XLogP2.23
TPSA73.58 Ų
H-Bond Donors2
H-Bond Acceptors4
Rotatable Bonds8
Heavy Atoms21
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500294.40
LogP ≤ 52.23
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 104

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Related Compounds

1-methoxy-N-[(3-methoxy-4-propan-2-yloxyphenyl)methyl]-2-methylpropan-2-amine
CID 115608160
1-(3,4-dimethoxyphenyl)-N-[(3-methoxy-4-propan-2-yloxyphenyl)methyl]methanamine
CID 30611503
3-(3,4-dimethoxyphenyl)-N-[(3-methoxy-4-propan-2-yloxyphenyl)methyl]propanamide
CID 46764441
N-[(3-methoxy-4-propan-2-yloxyphenyl)methyl]-3,3-dimethylbutan-2-amine
CID 115623081
3-[(2,5-dimethoxyphenyl)methylamino]-3-methylbutanamide
CID 104580454
2-[4-[(tert-butylamino)methyl]-2-methoxyphenoxy]-N-methylpropanamide
CID 63057094
4-[(3-methoxy-4-propan-2-yloxyphenyl)methylamino]phenol
CID 43742604
2-[2-methoxy-4-(methylaminomethyl)phenoxy]propanamide
CID 43278556
2-N-[(3,4-dimethoxyphenyl)methyl]-1-N,2-dimethylpropane-1,2-diamine
CID 115132665
N-[(3,4-dimethoxyphenyl)methyl]-2-methylpentan-2-amine
CID 113234422
2-[[3-(difluoromethoxy)-4-methoxyphenyl]methylamino]-2-methylpropanamide
CID 61212743
1-[(3-methoxy-4-propan-2-yloxyphenyl)methylamino]propan-2-ol
CID 43391975

Frequently Asked Questions

What is the IUPAC name of 3-[(3-methoxy-4-propan-2-yloxyphenyl)methylamino]-3-methylbutanamide?
The IUPAC name of 3-[(3-methoxy-4-propan-2-yloxyphenyl)methylamino]-3-methylbutanamide (CID 106095993) is 3-[(3-methoxy-4-propan-2-yloxyphenyl)methylamino]-3-methylbutanamide.
What is the SMILES notation for 3-[(3-methoxy-4-propan-2-yloxyphenyl)methylamino]-3-methylbutanamide?
The canonical SMILES for 3-[(3-methoxy-4-propan-2-yloxyphenyl)methylamino]-3-methylbutanamide is COc1cc(CNC(C)(C)CC(N)=O)ccc1OC(C)C.
What is the InChIKey of 3-[(3-methoxy-4-propan-2-yloxyphenyl)methylamino]-3-methylbutanamide?
The InChIKey is LYDKVHIPJZISHA-UHFFFAOYSA-N. The full InChI is InChI=1S/C16H26N2O3/c1-11(2)21-13-7-6-12(8-14(13)20-5)10-18-16(3,4)9-15(17)19/h6-8,11,18H,9-10H2,1-5H3,(H2,17,19).
What are the key properties of 3-[(3-methoxy-4-propan-2-yloxyphenyl)methylamino]-3-methylbutanamide?
3-[(3-methoxy-4-propan-2-yloxyphenyl)methylamino]-3-methylbutanamide has a molecular weight of 294.40 g/mol, XLogP of 2.23, 8 rotatable bonds, 2 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 3-[(3-methoxy-4-propan-2-yloxyphenyl)methylamino]-3-methylbutanamide is sourced from PubChem (CID 106095993), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).