N-[(4-methoxyphenyl)methyl]-N'-propan-2-ylpropanediamide

C14H20N2O3 — CID 108940806

IUPACN-[(4-methoxyphenyl)methyl]-N'-propan-2-ylpropanediamide
SMILESCOc1ccc(CNC(=O)CC(=O)NC(C)C)cc1
InChIInChI=1S/C14H20N2O3/c1-10(2)16-14(18)8-13(17)15-9-11-4-6-12(19-3)7-5-11/h4-7,10H,8-9H2,1-3H3,(H,15,17)(H,16,18)
InChIKeyFQNGFDNLYHMUIC-UHFFFAOYSA-N
MW264.32 g/mol
LogP1.23
Rot. Bonds6

About N-[(4-methoxyphenyl)methyl]-N'-propan-2-ylpropanediamide

N-[(4-methoxyphenyl)methyl]-N'-propan-2-ylpropanediamide (PubChem CID 108940806) has the molecular formula C14H20N2O3 and a molecular weight of 264.32 g/mol. Its IUPAC name is N-[(4-methoxyphenyl)methyl]-N'-propan-2-ylpropanediamide.

Molecular Properties

Compound NameN-[(4-methoxyphenyl)methyl]-N'-propan-2-ylpropanediamide
PubChem CID108940806
Molecular FormulaC14H20N2O3
Molecular Weight264.32 g/mol
Exact Mass264.15
IUPAC NameN-[(4-methoxyphenyl)methyl]-N'-propan-2-ylpropanediamide
SMILESCOc1ccc(CNC(=O)CC(=O)NC(C)C)cc1
InChIInChI=1S/C14H20N2O3/c1-10(2)16-14(18)8-13(17)15-9-11-4-6-12(19-3)7-5-11/h4-7,10H,8-9H2,1-3H3,(H,15,17)(H,16,18)
InChIKeyFQNGFDNLYHMUIC-UHFFFAOYSA-N
XLogP1.23
TPSA67.43 Ų
H-Bond Donors2
H-Bond Acceptors3
Rotatable Bonds6
Heavy Atoms19
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500264.32
LogP ≤ 51.23
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 103

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'beta-keto/anhydride', 'substructure': 'N/A'}

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Related Compounds

2-(4-methoxyphenyl)-N-propan-2-ylacetamide
CID 813075
N-[(4-methoxyphenyl)methyl]-3-methylbutanamide
CID 877839
N-[(4-methoxyphenyl)methyl]-N'-(4-propan-2-ylphenyl)propanediamide
CID 108947063
4-[[2-[(4-methoxyphenyl)methylamino]-2-oxoethyl]amino]-N-propan-2-ylbenzamide
CID 54840266
N-[(4-methoxyphenyl)methyl]-2-sulfanylacetamide
CID 58957123
2-methoxy-N-[(4-methoxyphenyl)methyl]acetamide
CID 885776
N-[(4-methoxyphenyl)methyl]-2-(3-methylbutylamino)acetamide
CID 108998624
3-(4-methoxyphenyl)-N-[(4-methoxyphenyl)methyl]propanamide
CID 898309
(2S)-2-hydroxy-N-[(4-methoxyphenyl)methyl]propanamide
CID 175748311
(2R)-N-[(4-methoxyphenyl)methyl]-2-(propan-2-ylamino)propanamide
CID 9114874
1-[(6-methoxynaphthalen-2-yl)methyl]-3-propan-2-ylurea
CID 24612075
N-[(4-methoxyphenyl)methyl]-3-oxo-3-pyrrolidin-1-ylpropanamide
CID 108941955

Frequently Asked Questions

What is the IUPAC name of N-[(4-methoxyphenyl)methyl]-N'-propan-2-ylpropanediamide?
The IUPAC name of N-[(4-methoxyphenyl)methyl]-N'-propan-2-ylpropanediamide (CID 108940806) is N-[(4-methoxyphenyl)methyl]-N'-propan-2-ylpropanediamide.
What is the SMILES notation for N-[(4-methoxyphenyl)methyl]-N'-propan-2-ylpropanediamide?
The canonical SMILES for N-[(4-methoxyphenyl)methyl]-N'-propan-2-ylpropanediamide is COc1ccc(CNC(=O)CC(=O)NC(C)C)cc1.
What is the InChIKey of N-[(4-methoxyphenyl)methyl]-N'-propan-2-ylpropanediamide?
The InChIKey is FQNGFDNLYHMUIC-UHFFFAOYSA-N. The full InChI is InChI=1S/C14H20N2O3/c1-10(2)16-14(18)8-13(17)15-9-11-4-6-12(19-3)7-5-11/h4-7,10H,8-9H2,1-3H3,(H,15,17)(H,16,18).
What are the key properties of N-[(4-methoxyphenyl)methyl]-N'-propan-2-ylpropanediamide?
N-[(4-methoxyphenyl)methyl]-N'-propan-2-ylpropanediamide has a molecular weight of 264.32 g/mol, XLogP of 1.23, 6 rotatable bonds, 2 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for N-[(4-methoxyphenyl)methyl]-N'-propan-2-ylpropanediamide is sourced from PubChem (CID 108940806), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).